⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23110249 | 0.80 | BRS3 (0.31) | — | |
| SCHEMBL19085497 | 0.65 | — | — | |
| SCHEMBL20936201 | 0.64 | HRH4 (0.36) | — | |
| SCHEMBL19101474 | 0.63 | HPGD (0.43) | — | |
| SCHEMBL20468593 | 0.60 | — | — | |
| SCHEMBL19115374 | 0.60 | BRS3 (0.32) | — | |
| SCHEMBL12012896 | 0.59 | — | — | |
| SCHEMBL20033724 | 0.59 | BRS3 (0.38) | — | |
| SCHEMBL680605 | 0.58 | — | — | |
| SCHEMBL19575668 | 0.58 | — | — |
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-11077098-B2 | Opioid receptor ligands and methods of using and making same | TREVENA, INC. (US) | 2021-08-03 | — | — | US | disclosed |