⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8381260 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL2513477 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL8671709 | 0.80 | ALDH1A1 (0.50) | — | |
| SCHEMBL1965487 | 0.80 | — | — | |
| SCHEMBL27628750 | 0.78 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL7690640 | 0.76 | ALDH1A1 (0.45) | — | |
| SCHEMBL16182238 | 0.76 | — | — | |
| SCHEMBL132152 | 0.76 | — | — | |
| SCHEMBL369943 | 0.76 | — | — | |
| SCHEMBL68781 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060074105-A1 | Substituted quinoline and quinazoline inhibitors of quinone reductase 2 | SERENEX, INC. (US) | 2006-04-06 | — | — | US | claimed |
| WO-2006034235-A2 | SUBSTITUTED QUINOLINE AND QUINAZOLINE INHIBITORS OF QUINONE REDUCTASE 2 | SERENEX, INC. (US) | 2006-03-30 | — | — | WO | claimed |
| US-20060074105-A1 | Substituted quinoline and quinazoline inhibitors of quinone reductase 2 | SERENEX, INC. (US) | 2006-04-06 | — | — | US | disclosed |
| WO-2006034235-A2 | SUBSTITUTED QUINOLINE AND QUINAZOLINE INHIBITORS OF QUINONE REDUCTASE 2 | SERENEX, INC. (US) | 2006-03-30 | — | — | WO | disclosed |
| US-20050014810-A1 | Use of substituted 2 phenylbenzimidazoles as medicaments | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2005-01-20 | — | — | US | disclosed |
| EP-0808303-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1997-11-26 | — | — | EP | disclosed |
| WO-1996024582-A1 | 5-(4-SUBST.-PIPERIDINYL-1)-3-ARYL-PENTANOIC ACID DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONIST | ZENECA LIMITED (GB) | 1996-08-15 | — | — | WO | disclosed |