⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16404829 | 0.90 | CYP1A2 (0.50) | — | |
| SCHEMBL24340615 | 0.88 | CYP1A2 (0.43) | — | |
| SCHEMBL6937266 | 0.88 | CYP1A2 (0.54) | — | |
| SCHEMBL6387627 | 0.86 | HTR2A (0.33) | — | |
| SCHEMBL13107222 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL5987219 | 0.84 | SPHK2 (0.35) | — | |
| SCHEMBL18874584 | 0.83 | SPHK2 (0.47) | — | |
| SCHEMBL18512394 | 0.83 | SPHK2 (0.47) | — | |
| SCHEMBL14399852 | 0.83 | NCF1 (0.43) | — | |
| SCHEMBL14479645 | 0.81 | — | — |
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 9 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 |
| EP-2520570-A1 | AMINOPYRIDINE COMPOUND | Ube Industries, Ltd. (JP) | 2012-11-07 | — | — | EP | disclosed |
| US-20120259123-A1 | AMINOPYRIDINE COMPOUND | UBE INDUSTRIES, LTD. (JP) | 2012-10-11 | — | — | 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 |
| WO-2006126081-A2 | PYRIDINO [2 , 3-B] PYRAZINONES AS PDE-5 INHIBITORS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-11-30 | — | — | WO | disclosed |