⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6235988 | 0.80 | TRPA1 (0.33) | — | |
| SCHEMBL28802192 | 0.76 | — | — | |
| SCHEMBL8939775 | 0.76 | CALM1 (0.43) | — | |
| SCHEMBL21194005 | 0.72 | — | — | |
| SCHEMBL101479 | 0.72 | PDK2 (0.31) | — | |
| SCHEMBL2088594 | 0.72 | FAAH (0.45) | — | |
| SCHEMBL262756 | 0.70 | NT5E (0.30) | — | |
| SCHEMBL10367130 | 0.70 | — | — | |
| SCHEMBL149760 | 0.70 | TSHR (0.37) | — | |
| SCHEMBL457652 | 0.68 | KIF11 (0.32) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104478812-A | Pyrimidone compound for treating Lp-PLA2-mediated diseases or illness | GLAXO GROUP LTD | 2015-04-01 | — | — | CN | disclosed |
| EP-2649053-A1 | PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP - PLA2 | Glaxo Group Limited (GB) | 2013-10-16 | — | — | EP | disclosed |
| CN-103347864-A | For treating diseases caused by Lp-PLA2Pyrimidone compounds for mediated diseases or conditions | GLAXO GROUP LTD | 2013-10-09 | — | — | CN | 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 |