⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455151 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL5007759 | 0.69 | CYP1A2 (0.47) | — | |
| SCHEMBL422347 | 0.66 | CYP2A6 (0.52) | — | |
| SCHEMBL17511941 | 0.65 | KDM4E (0.47) | — | |
| SCHEMBL1587165 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL17511964 | 0.64 | EGFR (0.41) | — | |
| SCHEMBL23206118 | 0.64 | PARP1 (0.39) | — | |
| SCHEMBL18317356 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL8404527 | 0.64 | CYP1A2 (0.41) | — | |
| Hydrochloric Acid SCHEMBL30901629 | 0.64 | CYP2A6 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7285563-B2 | Heteroaromatic urea derivatives as VR-1 receptor modulators for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2007-10-23 | — | — | US | disclosed |
| US-20050107388-A1 | Heteroaromatic urea derivatives as vr-1receptor modulators for treating pain | MERCK SHARP & DOHME LTD. (GB) | 2005-05-19 | — | — | US | disclosed |
| EP-1490340-A1 | HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN | MERCK SHARP & DOHME LTD. (GB) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003080578-A1 | HETEROAROMATIC UREA DERIVATIVES AS VR-1 RECEPTOR MODULATORS FOR TREATING PAIN | MERCK SHARP & DOHME LIMITED (GB) | 2003-10-02 | — | — | WO | disclosed |