⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3343366 | 0.86 | — | — | |
| SCHEMBL3347752 | 0.83 | — | — | |
| SCHEMBL3347760 | 0.82 | MEN1 (0.30) | — | |
| SCHEMBL5799756 | 0.74 | EGFR (0.33) | — | |
| SCHEMBL3346094 | 0.71 | — | — | |
| SCHEMBL1744942 | 0.68 | CYP11B2 (0.40) | — | |
| SCHEMBL1744656 | 0.59 | CYP11B2 (0.39) | — | |
| SCHEMBL3345890 | 0.56 | MCL1 (0.33) | — | |
| SCHEMBL3342259 | 0.55 | USP2 (0.32) | — | |
| SCHEMBL3345732 | 0.55 | BRD4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8372865-B2 | Dihydropyridone amides as P2X7 modulators | ROCHE PALO ALTO LLC (US) | 2013-02-12 | — | — | US | claimed |
| US-8372865-B2 | Dihydropyridone amides as P2X7 modulators | ROCHE PALO ALTO LLC (US) | 2013-02-12 | — | — | US | disclosed |
| US-20100160373-A1 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | ROCHE PALO ALTO LLC | 2010-06-24 | — | — | US | disclosed |