⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20456241 | 0.85 | — | — | |
| SCHEMBL15231693 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL16717505 | 0.79 | SLC1A2 (0.33) | — | |
| SCHEMBL3530127 | 0.76 | — | — | |
| SCHEMBL16798170 | 0.76 | — | — | |
| SCHEMBL20912996 | 0.72 | SLC1A2 (0.30) | — | |
| SCHEMBL7858435 | 0.72 | — | — | |
| SCHEMBL27612835 | 0.70 | MCL1 (0.32) | — | |
| SCHEMBL5666365 | 0.70 | MCL1 (0.31) | — | |
| SCHEMBL6535681 | 0.69 | EPHX1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111840299-A | Application of quinoline compound in preparation of cancer treatment drug | 武汉盛云生物医药科技有限责任公司 | 2020-10-30 | — | — | CN | disclosed |
| US-8048890-B2 | Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents | GRUENENTHAL GMBH (DE) | 2011-11-01 | — | — | US | disclosed |
| US-20110224172-A1 | Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods | GRUENENTHAL GMBH (DE) | 2011-09-15 | — | — | US | disclosed |
| WO-2011103018-A1 | SUBSTITUTED FUSED IMIDAZOLE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF | HIGH POINT PHARMACEUTICALS, LLC (US) | 2011-08-25 | — | — | WO | disclosed |
| US-4208324-A | Disperse diaminopyridine-3-azo dyestuffs | CIBA-GEIGY CORPORATION (US) | 1980-06-17 | — | — | US | disclosed |