⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5985114 | 0.78 | — | — | |
| SCHEMBL19108 | 0.76 | — | — | |
| SCHEMBL28731357 | 0.76 | — | — | |
| SCHEMBL4783023 | 0.75 | — | — | |
| SCHEMBL127146 | 0.74 | — | — | |
| SCHEMBL8850851 | 0.74 | — | — | |
| SCHEMBL157045 | 0.74 | — | — | |
| SCHEMBL9428069 | 0.74 | ALDH1A1 (0.37) | — | |
| SCHEMBL9494814 | 0.74 | — | — | |
| SCHEMBL5932434 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8759362-B2 | Bicycloheteroaryl compounds and their use as TRPV1 ligands | PURDUE PHARMA L.P. (US) | 2014-06-24 | — | — | US | disclosed |
| US-20100130499-A1 | BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS TRPV1 LIGANDS | PURDUE PHARMA L.P. | 2010-05-27 | — | — | US | disclosed |