⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2551068 | 0.83 | CYP1A2 (0.34) | — | |
| SCHEMBL127997 | 0.75 | — | — | |
| SCHEMBL6178915 | 0.75 | — | — | |
| SCHEMBL6177812 | 0.74 | — | — | |
| SCHEMBL15227572 | 0.71 | — | — | |
| SCHEMBL13619710 | 0.70 | — | — | |
| SCHEMBL7048958 | 0.70 | — | — | |
| SCHEMBL456220 | 0.70 | — | — | |
| SCHEMBL35489 | 0.68 | — | — | |
| SCHEMBL4622381 | 0.67 | — | — |
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 6 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-8703962-B2 | Monocyclic compounds and their use as TRPV1 ligands | PURDUE PHARMA L.P. (US) | 2014-04-22 | — | — | US | disclosed |
| US-8546388-B2 | Heterocyclic TRPV1 receptor ligands | PURDUE PHARMA L.P. (US) | 2013-10-01 | — | — | US | disclosed |
| US-20100137306-A1 | HETEROCYCLIC TRPV1 RECEPTOR LIGANDS | PURDUE PHARMA L.P. | 2010-06-03 | — | — | US | disclosed |
| US-20100130499-A1 | BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS TRPV1 LIGANDS | PURDUE PHARMA L.P. | 2010-05-27 | — | — | US | disclosed |
| US-20100120862-A1 | MONOCYCLIC COMPOUNDS AND THEIR USE AS TRPV1 LIGANDS | PURDUE PHARMA L.P. | 2010-05-13 | — | — | US | disclosed |