⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3379080 | 0.85 | TRPA1 (0.36) | — | |
| SCHEMBL3382744 | 0.85 | SETD7 (0.32) | — | |
| SCHEMBL3379060 | 0.85 | DRD2 (0.35) | — | |
| SCHEMBL3382566 | 0.84 | TERT (0.34) | — | |
| SCHEMBL3379108 | 0.83 | SETD7 (0.32) | — | |
| SCHEMBL13617536 | 0.83 | SETD7 (0.32) | — | |
| SCHEMBL13617537 | 0.83 | SETD7 (0.32) | — | |
| SCHEMBL3385630 | 0.82 | MAPT (0.30) | — | |
| SCHEMBL13617490 | 0.82 | MAPT (0.30) | — | |
| SCHEMBL3382497 | 0.82 | TRPA1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1896467-B1 | TRICYCLIC OPIOID MODULATORS | JANSSEN PHARMACEUTICA NV (BE) | 2010-12-01 | — | — | EP | claimed |