⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4529598 | 0.72 | — | — | |
| SCHEMBL5154772 | 0.71 | — | — | |
| SCHEMBL668578 | 0.67 | — | — | |
| SCHEMBL1816453 | 0.67 | — | — | |
| SCHEMBL9277864 | 0.67 | — | — | |
| SCHEMBL10094142 | 0.67 | — | — | |
| SCHEMBL10265652 | 0.67 | — | — | |
| SCHEMBL11267167 | 0.64 | — | — | |
| SCHEMBL17859390 | 0.64 | CYP1A2 (0.34) | — | |
| SCHEMBL14248634 | 0.62 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1717230-B1 | FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE | MSD KK (JP) | 2014-08-06 | — | — | EP | disclosed |
| US-8268842-B2 | Fused ring 4-oxopyrimidine derivative | MSD K.K. (JP) | 2012-09-18 | — | — | US | disclosed |
| CN-1918128-B | fused ring 4-oxo-pyrimidine derivatives | BANYU PHARMA CO LTD | 2011-01-26 | — | — | CN | disclosed |
| US-20090209562-A1 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2009-08-20 | — | — | US | disclosed |
| US-7521455-B2 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO. LTD. (JP) | 2009-04-21 | — | — | US | disclosed |
| EP-1717230-A1 | FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-11-02 | — | — | EP | disclosed |
| US-20050182045-A1 | Fused ring 4-oxopyrimidine derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2005-08-18 | — | — | US | disclosed |