⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1000578 | 0.76 | — | — | |
| SCHEMBL29465177 | 0.74 | — | — | |
| SCHEMBL29465156 | 0.74 | — | — | |
| SCHEMBL473740 | 0.74 | — | — | |
| SCHEMBL3810433 | 0.66 | HTR2C (0.40) | — | |
| SCHEMBL30041643 | 0.64 | — | — | |
| SCHEMBL30295004 | 0.64 | — | — | |
| SCHEMBL22530438 | 0.62 | HTR2C (0.36) | — | |
| SCHEMBL19348395 | 0.62 | — | — | |
| SCHEMBL436647 | 0.60 | CHRNB2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |