⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20119350 | 0.72 | CYP1A2 (0.34) | — | |
| SCHEMBL21385481 | 0.72 | — | — | |
| SCHEMBL22020866 | 0.71 | — | — | |
| SCHEMBL21482041 | 0.70 | — | — | |
| SCHEMBL24862786 | 0.69 | CNR1 (0.31) | — | |
| SCHEMBL23634131 | 0.68 | HDAC8 (0.34) | — | |
| SCHEMBL23815768 | 0.68 | CYP1A2 (0.33) | — | |
| SCHEMBL20809950 | 0.68 | TAAR1 (0.35) | — | |
| SCHEMBL21191752 | 0.67 | CNR2 (0.38) | — | |
| SCHEMBL22023787 | 0.67 | CNR2 (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 |
|---|---|---|---|---|---|---|---|
| US-9642842-B2 | Opioid receptor ligands and methods of using and making same | Trevana, Inc. (US) | 2017-05-09 | — | — | US | disclosed |