⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1225354 | 0.78 | CA12 (0.35) | — | |
| SCHEMBL1226350 | 0.73 | RAB9A (0.36) | — | |
| SCHEMBL19286603 | 0.63 | ALDH1A1 (0.53) | — | |
| SCHEMBL1226656 | 0.61 | CA12 (0.35) | — | |
| SCHEMBL1100275 | 0.61 | — | — | |
| SCHEMBL8404399 | 0.60 | — | — | |
| SCHEMBL161216 | 0.59 | — | — | |
| SCHEMBL25105761 | 0.58 | — | — | |
| SCHEMBL28158922 | 0.58 | — | — | |
| SCHEMBL3346925 | 0.58 | MAPT (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8435990-B2 | Dihydropyrimidone amides as P2X7 modulators | ROCHE PALO ALTO LLC (US) | 2013-05-07 | — | — | US | disclosed |
| EP-2459541-A1 | DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2012-06-06 | — | — | EP | disclosed |
| CN-102471284-A | Dihydropyrimidone amides as P2X7 modulators | HOFFMANN LA ROCHE | 2012-05-23 | — | — | CN | disclosed |
| US-20110028502-A1 | DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS | BROTHERTON-PLEISS CHRISTINE E | 2011-02-03 | — | — | US | disclosed |
| WO-2011012592-A1 | DIHYDROPYRIMIDONE AMIDES AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-02-03 | — | — | WO | disclosed |