⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9271107 | 0.91 | CCR2 (0.36) | — | |
| SCHEMBL8802003 | 0.87 | SLC33A1 (0.37) | — | |
| SCHEMBL8801621 | 0.86 | AGTR1 (0.39) | — | |
| SCHEMBL8801263 | 0.84 | — | — | |
| SCHEMBL8800559 | 0.84 | — | — | |
| SCHEMBL8801994 | 0.82 | — | — | |
| SCHEMBL8801162 | 0.82 | — | — | |
| SCHEMBL9422505 | 0.82 | AGTR1 (0.47) | — | |
| SCHEMBL9848936 | 0.82 | AGTR1 (0.45) | — | |
| SCHEMBL8801125 | 0.82 | AGTR1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0680480-B1 | PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY | LUSO FARMACO INST (IT) | 1997-07-30 | — | — | EP | claimed |
| WO-1994017067-A1 | PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY | ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) | 1994-08-04 | — | — | WO | claimed |
| EP-0680480-B1 | PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY | LUSO FARMACO INST (IT) | 1997-07-30 | — | — | EP | disclosed |
| WO-1994017067-A1 | PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY | ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) | 1994-08-04 | — | — | WO | disclosed |