⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21041302 | 0.70 | CYP19A1 (0.31) | — | |
| SCHEMBL11922137 | 0.61 | GABRA1 (0.30) | — | |
| SCHEMBL22096412 | 0.61 | KIF11 (0.44) | — | |
| SCHEMBL21093034 | 0.60 | HPGD (0.31) | — | |
| SCHEMBL19101474 | 0.60 | HPGD (0.43) | — | |
| SCHEMBL22639173 | 0.60 | — | — | |
| SCHEMBL25440558 | 0.59 | — | — | |
| SCHEMBL23110249 | 0.59 | BRS3 (0.31) | — | |
| SCHEMBL12012896 | 0.58 | — | — | |
| SCHEMBL680605 | 0.57 | — | — |
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-20190343819-A1 | Opioid Receptor Ligands And Methods Of Using And Making Same | TREVENA, INC. | 2019-11-14 | — | — | US | disclosed |