⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45963 | 0.91 | OPRM1 (0.35) | — | |
| SCHEMBL13823666 | 0.89 | OPRM1 (0.32) | — | |
| SCHEMBL18473622 | 0.88 | HCRTR1 (0.40) | — | |
| SCHEMBL14617397 | 0.81 | HTR1A (0.33) | — | |
| SCHEMBL14012718 | 0.79 | OPRM1 (0.33) | — | |
| SCHEMBL12337176 | 0.79 | OPRM1 (0.35) | — | |
| SCHEMBL12826657 | 0.78 | HCRTR1 (0.41) | — | |
| SCHEMBL13962904 | 0.77 | OPRM1 (0.37) | — | |
| SCHEMBL14202054 | 0.77 | KDM1A (0.36) | — | |
| SCHEMBL12337177 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012005795-A1 | PROCESS FOR THE SYNTHESIS OF SUBSTITUTED MORPHINANS | ALKERMES, INC. (US) | 2012-01-12 | — | — | WO | disclosed |