⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9889536 | 0.85 | GRM2 (0.33) | — | |
| SCHEMBL9892536 | 0.85 | S1PR1 (0.34) | — | |
| SCHEMBL9106578 | 0.81 | FAAH (0.37) | — | |
| SCHEMBL9106106 | 0.81 | FFAR4 (0.35) | — | |
| SCHEMBL876627 | 0.78 | KIF11 (0.33) | — | |
| SCHEMBL9108123 | 0.76 | PLA2G7 (0.46) | — | |
| SCHEMBL9107997 | 0.75 | PLA2G7 (0.32) | — | |
| SCHEMBL9108005 | 0.75 | PLA2G7 (0.35) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL9103515 | 0.71 | SCN9A (0.43) | — | |
| SCHEMBL9889455 | 0.71 | GPR84 (0.39) | — |
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-8637536-B2 | Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 | GLAXO GROUP LIMITED (GB) | 2014-01-28 | — | — | US | disclosed |
| WO-2012076435-A1 | PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 | GLAXO GROUP LIMITED (GB) | 2012-06-14 | — | — | WO | disclosed |
| US-20120142717-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-06-07 | — | — | US | disclosed |