⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13835366 | 0.88 | GABRA3 (0.63) | — | |
| SCHEMBL29692345 | 0.76 | GABRA3 (0.76) | — | |
| SCHEMBL7721717 | 0.76 | GABRG2 (0.64) | — | |
| SCHEMBL13009537 | 0.76 | GABRA3 (0.76) | — | |
| SCHEMBL31236258 | 0.74 | GABRG2 (0.57) | — | |
| SCHEMBL13061673 | 0.74 | GABRA3 (0.81) | — | |
| SCHEMBL7724642 | 0.74 | GABRA3 (0.77) | — | |
| SCHEMBL8271855 | 0.73 | GABRG2 (0.60) | — | |
| SCHEMBL31236268 | 0.72 | CYP3A4 (0.44) | — | |
| SCHEMBL30056165 | 0.72 | GABRA5 (0.45) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100317619-A1 | Selective Agents for Pain Suppression | COOK JAMES | 2010-12-16 | — | — | US | disclosed |