⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2857523 | 0.97 | — | — | |
| SCHEMBL22580208 | 0.63 | — | — | |
| SCHEMBL4199833 | 0.62 | — | — | |
| SCHEMBL1898175 | 0.62 | — | — | |
| SCHEMBL6761700 | 0.62 | — | — | |
| SCHEMBL12786313 | 0.62 | — | — | |
| SCHEMBL5562985 | 0.62 | — | — | |
| SCHEMBL10987124 | 0.62 | — | — | |
| SCHEMBL14252552 | 0.62 | — | — | |
| SCHEMBL4280209 | 0.62 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250215016-A1 | ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE | Shanghai SIMR Biotechnology Co., Ltd (CN) | 2025-07-03 | — | — | US | disclosed |
| EP-4506348-A1 | ISOXAZOLE-HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE | Shanghai Simrd Biotechnology Co., Ltd (CN) | 2025-02-12 | — | — | EP | disclosed |
| CN-117586256-A | Substituted heterocyclic compounds | 首药控股(北京)股份有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-104710419-B | Tetrahydropyridine [4,3-b] diindyl compound as well as preparation method and pharmaceutical application thereof | 中国药科大学 | 2017-05-24 | — | — | CN | disclosed |
| CN-104710419-A | Tetrahydropyridine [4,3-b] diindyl compound as well as preparation method and pharmaceutical application thereof | UNIV CHINA PHARMA | 2015-06-17 | — | — | CN | disclosed |
| EP-0947510-B1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AG (DE) | 2002-02-13 | — | — | EP | disclosed |
| EP-0947510-A1 | Process for the preparation of 1,3,4-trisubstituted 1,2,4-triazolium salts | BASF AKTIENGESELLSCHAFT (DE) | 1999-10-06 | — | — | EP | disclosed |
| EP-0111095-B1 | AROMATIC SUBSTITUTED CYCLIC AMIDINES | G.D. Searle & Co. (US) | 1986-12-17 | — | — | EP | disclosed |
| US-4533739-A | 2-[(Aminophenyl and amidophenyl)amino]-1-azacycloalkanes having antidiarrheal activity | G. D. SEARLE & CO. (US) | 1985-08-06 | — | — | US | disclosed |
| EP-0111095-A1 | Aromatic substituted cyclic amidines | G.D. Searle & Co. (US) | 1984-06-20 | — | — | EP | disclosed |