⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5352787 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL8832445 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL27432 | 0.79 | — | — | |
| SCHEMBL4633009 | 0.76 | — | — | |
| SCHEMBL4632179 | 0.76 | — | — | |
| SCHEMBL7640754 | 0.75 | — | — | |
| SCHEMBL6950834 | 0.73 | ALDH1A1 (0.56) | — | |
| SCHEMBL8295 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL29165044 | 0.73 | — | — | |
| SCHEMBL7551301 | 0.72 | ALDH1A1 (0.56) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4525541-A | REACTION WITH AN ACETOACETATE COMPOUND | NIPPON ZEON CO. LTD. (JP) | 1985-06-25 | — | — | US | claimed |
| US-20230357467-A1 | FLUORINE-CONTAINING COPOLYMER PRODUCTION METHOD AND FLUORINE-CONTAINING COPOLYMER | AGC Inc. (JP) | 2023-11-09 | — | — | US | disclosed |
| CN-108440425-B | Preparation method of 3-methylquinoxaline-2-carboxylic acid | 中国动物疫病预防控制中心（农业部屠宰技术中心） | 2020-10-13 | — | — | CN | disclosed |
| US-9090623-B2 | Compound JK12A and preparation thereof | LIANYUNGANG JINKANG HEXIN PHARMACEUTICAL CO., LTD. (CN) | 2015-07-28 | — | — | US | disclosed |
| US-20150065708-A1 | COMPOUND JK12A AND PREPARATION THEREOF | LIANYUNGANG JINKANG HEXIN PHARMACEUTICAL CO., LTD. (CN) | 2015-03-05 | — | — | US | disclosed |
| EP-1785418-A1 | PYRAZOLE DERIVATIVE | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2007-05-16 | — | — | EP | disclosed |
| EP-0099478-B1 | METHOD FOR MODIFYING RUBBERS | NIPPON ZEON CO., LTD. (JP) | 1986-02-26 | — | — | EP | disclosed |
| US-4525541-A | REACTION WITH AN ACETOACETATE COMPOUND | NIPPON ZEON CO. LTD. (JP) | 1985-06-25 | — | — | US | disclosed |
| EP-0099478-A2 | Method for modifying rubbers | NIPPON ZEON CO., LTD. (JP) | 1984-02-01 | — | — | EP | disclosed |