⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17875020 | 0.58 | — | — | |
| SCHEMBL1440647 | 0.57 | — | — | |
| SCHEMBL19417819 | 0.56 | — | — | |
| SCHEMBL1270305 | 0.55 | — | — | |
| SCHEMBL5431836 | 0.52 | — | — | |
| SCHEMBL279754 | 0.51 | — | — | |
| SCHEMBL18570948 | 0.51 | — | — | |
| SCHEMBL441039 | 0.50 | — | — | |
| SCHEMBL131549 | 0.50 | — | — | |
| SCHEMBL23497399 | 0.45 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3083625-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | Almac Discovery Limited (GB) | 2016-10-26 | — | — | EP | disclosed |
| WO-2015092431-A1 | PYRIMIDOPYRIMIDINONES USEFUL AS WEE-1 KINASE INHIBITORS | ALMAC DISCOVERY LIMITED (GB) | 2015-06-25 | — | — | WO | disclosed |