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A compound library or chemical library is a collection of stored chemicals usually used ultimately in high-throughput screening or industrial manufacture. Depending upon their scope (specific goal or diverse oriented goal) and design (chemical space or scaffold), our compound libraries can be classified as Focused Bioactive Libraries, Natural Product Libraries, Fragment Libraries, and Diversity Sets. These libraries have been extensively validated in our in- house biological assays and widely employed by research institutions and pharmaceutical companies in complementary screening strategies. Identifying novel and robust chemical starting points remains one of the biggest challenges in drug discovery today. Over the last decade, it has been common practice during the early stage of a project to screen vast numbers of compounds that cover larger section of chemical space evenly (diversity-led paradigm) in high-throughput assays in order to identify those chemicals which have the potential to modulate the target of interest. The costly nature of such mass screening, the consequent need to use reductionist assays that are optimized primarily for scale and speed, and the increasing realization that drug property space is far from random has more recently led to the use of smaller, higher quality screening collections (target-led approaches). All of these compound libraries and their screening approaches have their own particular advantages and disadvantages.
Compound Library Categories:
Research Field 生物活性化合物ライブラリー 天然化合物ライブラリー ドラッグライク 化合物ライブラリー フラグメントライブラリー

Research Field

Targetmol compound libraries provide collections of variously compounds for drug repurposing, target validation, tool compound identification, and assay development in all research fields. We provide expertly selected chemical libraries of annotated bioactive compounds and novelty chemical synthesis compounds

Cardiovascular disease : Cardiovascular diseases refer to a group of conditions affecting the heart and blood vessel system, including coronary artery disease (leading to angina and myocardial infarction), hypertension, heart failure, cerebrovascular diseases, and others. These diseases are often closely associated with impaired vascular health, such as atherosclerosis, and lifestyle factors such as unhealthy diet, lack of exercise, smoking, and excessive drinking are also major contributors. Cardiovascular diseases are one of the leading health problems worldwide and are among the primary causes of death in adults. Prevention and treatment of cardiovascular diseases require not only lifestyle changes but also play a crucial role in pharmacotherapy and surgical interventions. Researchers are dedicated to deciphering the pathogenesis of cardiovascular diseases and developing and testing new drugs and treatment strategies to more effectively address the challenges posed by these diseases.

Digestive disorders : The digestive system made up of the gastrointestinal tract (GI), liver, pancreas, and gallbladder helps the body digest food. Digestion is important for breaking down food into nutrients, which your body uses for energy, growth, and cell repair.Some digestive diseases and conditions are acute, lasting only a short time, while others are chronic, or long-lasting.

Tumor : Cancer is a serious disease caused by the unrestricted proliferation of cells in the body that lose normal growth control. It can occur in any part of the body, such as the lungs, breasts, colon, and skin. Cancer is one of the major threats to global health, causing millions of deaths each year and bringing profound pain and economic burdens to patients and their families. In recent years, there has been significant progress in the field of cancer treatment, especially in areas such as targeted therapy and immunotherapy. Researchers are working hard to discover new biomarkers and treatment methods to further improve treatment effectiveness.

Neurological disorders : Neurological disorders are diseases of the central and peripheral nervous system. In other words, the brain, spinal cord, cranial nerves, peripheral nerves, nerve roots, autonomic nervous system, neuromuscular junction, and muscles. These disorders include epilepsy, Alzheimer disease and other dementias, cerebrovascular diseases including stroke, migraine and other headache disorders, multiple sclerosis, Parkinson's disease, neuroinfections, brain tumours, traumatic disorders of the nervous system due to head trauma, and neurological disorders as a result of malnutrition.

Metabolic diseases : Metabolic disorders are medical conditions that impact your metabolism, a wide array of processes that enable proper bodily functioning and balance. There are two main parts to metabolism:catabolism and anabolism. Catabolism is the process of breaking down carbohydrates, protein, and fat from food, which releases energy. Anabolism is the process that uses that energy to build, repair, and grow.

Inflammation and immunity : Immune and inflammatory diseases constitute a diverse and complex array of health problems, primarily involving abnormal reactions of the immune system. These diseases include autoimmune conditions such as rheumatoid arthritis and systemic lupus erythematosus, as well as conditions like asthma and allergic diseases, which are caused by the immune system's overreaction to environmental factors. The complexity of these diseases stems from their pathogenesis, involving a combination of genetic factors, environmental influences, and lifestyle choices. They pose not only a challenge to individual health but also place a significant burden on public health systems.

Development and reproduction : Molecular Reproduction and Development takes an integrated approach to understanding the dynamic field of cellular, reproductive, and developmental processes. Readers come to our journal to learn about current progress in the approaches that will be the groundwork for the next generation of research in reproductive and developmental biology.

Anti-infective : Infectious diseases are illnesses caused by various pathogens such as bacteria, viruses, fungi, or parasites, and they can be transmitted through various means including air, food, water, or direct human contact. Common infectious diseases include influenza, HIV/AIDS, tuberculosis, malaria, and novel coronavirus diseases. These diseases pose a serious threat to global public health.

Cardiovascular disease Digestive disorders Tumor Neurological disorders Metabolic diseases Inflammation and immunity Development and reproduction Anti-infective Other Fields


Generally higher hit rates are observed in screening focused bioactive libraries when compared with the screening of diverse sets, and the hit clusters obtained from a successful focused library screening campaign usually exhibit discernable structure-activity relationships that facilitate follow up of these hits. Focused Bioactive Libraries is a powerful tool for drug screening, cell induction, drug repurposing, mechanism research, target identification, positive control and other related research fields.

ゼネラルバイオウアクティヴライブラリー : General Bioactive Libraries: Covering nearly 20,000 known biologically active small molecules, including Bioactive Compound Library, Approved Drug Library, Clinical Compound Library, FDA-Approved Drug Library, and Featured Novel Bioactive Compound Library.


Natural products are an unsurpassed source of chemical diversity and an ideal starting point for any screening program for pharmacologically active small molecules. Historically, natural products have been the most successful source of new drugs. Natural Product Libraries is a powerful tool for cell induction research and the drug screening focused on unique natural structures along with new bioactivity.

HTS用天然物ライブラリー : The TargetMol natural product libraries are continuously updated and contain structurally novel and active natural products from plants, animals, microorganisms and marine organisms. Our natural product libraries can be used for high-throughput screening, high-content screening, new drug development, pharmacological research and other fields, and are globally cited by highly-scored journals.

分野別 天然化合物ライブラリー : Natural products originate from various sources, including animals, plants, microorganisms, etc. With their diverse structures, natural products cover over 30 types of unique compound structures, including flavonoids and alkaloids, and exhibit various biological activities such as anti-cancer and anti-inflammatory characteristics. Based on the number of genes, it has been estimated that the plant kingdom contains more than 200,000 different metabolites with values for single species ranging between 5,000 and 15,000, values that are significantly greater than those of microorganisms (∼1,500) and animals (∼2,500). We created several Characteristic Natural Product Libraries based on their biogenesis and the source they originate from (Alkaloid Natural Product Library, Flavonoid Natural Product Library, Polyphenolic Natural Product Library, Terpene Natural Product Library, Selected Plant-Sourced Compound Library, and Microbial Natural Product Library) as well as their specific applications (Anti-Inflammatory Traditional Chinese Medicine Compound Library, Anti-Tumor Natural Product Library, and Food as Medicine Compound Library). In addition, we can formulate customized natural product library for our customers with specific needs.

天然物誘導体ライブラリー : Natural products have been a treasure trove for new drug development, a source of new structures and new ideas. Since the 1940s, nearly 75% of the newly discovered small molecule anti-cancer drugs are associated with natural products, and 40 natural product derivatives were approved between 1998 and 2009. Natural products and their derivatives are potent tools for studying and modulating protein function and natural product-related drug designs.

CADD用天然物ライブラリー : Natural products are known for their general high bioactivity and representative chemical backbones. With years of experience in the hit discovery-to-lead optimization process, Targetmol has built a collection of Natural Product Libraries that can be used for CADD. The libraries comprise a leading number of natural products and their derivatives, all of which are in-house to be supplied by Targetmol for HTS and HCS. By implementing CADD to in-house compound screening, we believe new drug discovery would be more efficient and cost-effective.


ドラッグライク 化合物ライブラリー


Fragment-based drug discovery (FBDD) has emerged in the past decade as an alternative approach to traditional lead identification via high-throughput screening (HTS). Unlike HTS, FBDD identifies smaller compounds, the “fragments,” which bind to different parts of a biological target. FBDD has played a role in discovery of 2 approved drugs and at least 30 drugs that are in various stages of clinical development. In response to this evident trend in drug discovery, TargetMol has designed its Fragment Libraries, including a selection of unique fragment subsets: Drug-Fragment Library, High Solubility Fragment Library, and Featured Fragment Library.