⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1101505 | 0.77 | CA12 (0.33) | — | |
| SCHEMBL5240508 | 0.73 | KDM4E (0.38) | — | |
| SCHEMBL21930755 | 0.71 | KDM4E (0.40) | — | |
| SCHEMBL21356175 | 0.67 | — | — | |
| SCHEMBL9620179 | 0.63 | PPOX (0.42) | — | |
| SCHEMBL9835490 | 0.63 | KDM4E (0.39) | — | |
| SCHEMBL2474079 | 0.63 | KDM4E (0.49) | — | |
| SCHEMBL4738422 | 0.62 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL10574907 | 0.62 | GLA (0.41) | — | |
| SCHEMBL1099873 | 0.61 | CYP3A4 (0.53) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2393781-B1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | HOFFMANN LA ROCHE (CH) | 2014-03-12 | — | — | EP | disclosed |
| US-8153809-B2 | Dihydropyridone ureas as P2X7 modulators | ROCHE PALO ALTO LLC (US) | 2012-04-10 | — | — | US | disclosed |
| EP-2393781-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-12-14 | — | — | EP | disclosed |
| WO-2010072599-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |
| US-20100160388-A1 | DIHYDROPYRIDONE UREAS AS P2X7 MODULATORS | ROCHE PALO ALTO LLC | 2010-06-24 | — | — | US | disclosed |