⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL194643 | 0.74 | — | — | |
| SCHEMBL8919520 | 0.74 | — | — | |
| SCHEMBL895450 | 0.70 | — | — | |
| SCHEMBL4925916 | 0.70 | — | — | |
| SCHEMBL1672168 | 0.67 | — | — | |
| SCHEMBL10675525 | 0.65 | — | — | |
| SCHEMBL1274799 | 0.64 | — | — | |
| SCHEMBL361240 | 0.62 | — | — | |
| SCHEMBL10505078 | 0.60 | — | — | |
| SCHEMBL28075808 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006038041-A1 | BESYLATE SALTS OF SIX-MEMBERED AMINO-HETEROCYCLES AS VANILLOID-1 RECEPTOR ANTAGONISTS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |
| US-20050197342-A1 | Substituted nitrogen-containing six-membered amino-heterocycles as vanilloid-1 receptor antagonists for treating pain | HOLLINGWORTH GREGORY J (GB) | 2005-09-08 | — | — | US | disclosed |