⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL28350050 | 1.00 | APLNR (0.32) | — | |
| Acetonitrile SCHEMBL3755773 | 1.00 | — | — | |
| Acetonitrile SCHEMBL7316992 | 0.96 | — | — | |
| Acetonitrile SCHEMBL15092908 | 0.96 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267901 | 0.96 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL522737 | 0.96 | — | — | |
| Acetonitrile SCHEMBL9936942 | 0.96 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL16267560 | 0.96 | APLNR (0.33) | — | |
| Acetonitrile SCHEMBL28516249 | 0.96 | — | — | |
| Acetonitrile SCHEMBL15092655 | 0.96 | APLNR (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 140 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117723644-A | Method for detecting water-soluble vitamins, hormones, nucleosides, organic acids and amino acids in biological sample | 南京品生医学检验实验室有限公司 | 2024-03-19 | — | — | CN | claimed |
| CN-115144505-B | Method for simultaneously measuring valsartan, sha Kuba yeast and metabolite concentration of valsartan and Sha Kuba yeast in human urine by UPLC-MS/MS method | 四川大学华西医院 | 2024-01-19 | — | — | CN | claimed |
| CN-111533768-B | Preparation method of high-purity pomegranate bark pavilion A | 中国科学院新疆理化技术研究所 | 2022-12-09 | — | — | CN | claimed |
| CN-115389650-A | Method for simultaneously determining concentrations of valsartan, sha Kuba koji and metabolites thereof in human plasma by UPLC-MS/MS method | 四川大学华西医院 | 2022-11-25 | — | — | CN | claimed |
| CN-115248263-A | HPLC-MS/MS method for quantitatively detecting antiepileptic drug in saliva | 四川大学华西医院 | 2022-10-28 | — | — | CN | claimed |
| CN-115144505-A | Method for simultaneously determining concentrations of valsartan, sha Kuba koji and metabolites thereof in human urine by UPLC-MS/MS method | 四川大学华西医院 | 2022-10-04 | — | — | CN | claimed |
| CN-114113424-A | HPLC analysis method for determining related substances in regorafenib tablets | 重庆药友制药有限责任公司 | 2022-03-01 | — | — | CN | claimed |
| CN-113092615-A | Method for detecting antiepileptic drug and metabolite thereof in hair by liquid chromatography-mass spectrometry | 四川大学华西医院 | 2021-07-09 | — | — | CN | claimed |
| CN-112394122-B | Method for detecting content of 3-hydroxypropyl demethyl tadalafil in health food | 潍坊市检验检测中心 | 2021-03-30 | — | — | CN | claimed |
| CN-112394122-A | Method for detecting content of 3-hydroxypropyl demethyl tadalafil in health food | 潍坊市检验检测中心 | 2021-02-23 | — | — | CN | claimed |
| CN-111533768-A | Preparation method of high-purity pomegranate bark pavilion A | 中国科学院新疆理化技术研究所 | 2020-08-14 | — | — | CN | claimed |
| CN-110749690-A | Method for detecting dutasteride content in plasma sample | 重庆柳江医药科技有限公司 | 2020-02-04 | — | — | CN | claimed |
| CN-103869020-B | A kind of method differentiating natural musk and muscone | BEIJING UNIVERSITY OF CHINESE MEDICINE (CN) | 2015-09-30 | — | — | CN | claimed |
| CN-103940932-A | Non-biological method for screening effective antivirus components in traditional Chinese medicines | LANZHOU INST ANIMAL SCIENCE & VETERINARY PHARMACEUTICS CAAS | 2014-07-23 | — | — | CN | claimed |
| CN-103869020-A | Method for identifying natural musk and muskone | UNIV BEIJING CHINESE MEDICINE | 2014-06-18 | — | — | CN | claimed |
| US-20240197732-A1 | ORAL COMPOSITIONS OF MK2 PATHWAY INHIBITOR FOR TREATMENT OF IMMUNE CONDITIONS | ACLARIS THERAPEUTICS, INC. | 2024-06-20 | — | — | US | disclosed |
| WO-2024086695-A2 | PORPHYRIA DISEASE MODELS | AGIOS PHARMACEUTICALS, INC. (US) | 2024-04-25 | — | — | WO | disclosed |
| EP-2321264-A2 | DEACETYLASE INHIBITORS AND USES THEREOF | President and Fellows of Harvard College (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010011296-A2 | DEACETYLASE INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2010-01-28 | — | — | WO | disclosed |
| WO-1999048982-A1 | FOOD COLOURING AND METHOD FOR PRODUCING SAME | QUALITY WHEAT CRC LIMITED (AU) | 1999-09-30 | — | — | WO | disclosed |