⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1904169 | 0.98 | GABRP (0.30) | — | |
| SCHEMBL8874485 | 0.79 | GABRP (0.33) | — | |
| SCHEMBL3458976 | 0.69 | GABRP (0.39) | — | |
| SCHEMBL27626673 | 0.64 | GABRP (0.30) | — | |
| SCHEMBL22206947 | 0.61 | — | — | |
| SCHEMBL27143998 | 0.60 | TLR4 (0.33) | — | |
| SCHEMBL27365479 | 0.60 | CYP3A4 (0.56) | — | |
| SCHEMBL28009313 | 0.60 | CYP3A4 (0.56) | — | |
| SCHEMBL21357324 | 0.56 | — | — | |
| SCHEMBL21359633 | 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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3356367-A1 | FUSED PYRAZOLE DERIVATIVES AS KINASE INHIBITORS | UCB Biopharma SPRL (BE) | 2018-08-08 | — | — | EP | disclosed |
| US-8669266-B2 | Quinoline-carboxamide derivatives as P2Y12 antagonists | SANOFI (FR) | 2014-03-11 | — | — | US | disclosed |
| US-20100135999-A1 | QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS | SANOFI-AVENTIS (FR) | 2010-06-03 | — | — | US | disclosed |
| EP-2148871-A1 | QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS | Sanofi-Aventis (FR) | 2010-02-03 | — | — | EP | disclosed |
| WO-2008128647-A1 | QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | WO | disclosed |
| EP-1781663-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | Sanofi-Aventis Deutschland GmbH (DE) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006018280-A2 | ARYL-SUBSTITUTED POLYCYCLIC AMINES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS A MEDICAMENT | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2006-02-23 | — | — | WO | disclosed |