⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5098957 | 0.76 | GSK3B (0.40) | — | |
| SCHEMBL5102320 | 0.69 | GSK3B (0.36) | — | |
| SCHEMBL3568657 | 0.68 | GSK3B (0.33) | — | |
| SCHEMBL5098716 | 0.65 | GSK3B (0.38) | — | |
| SCHEMBL6200666 | 0.64 | GSK3B (0.41) | — | |
| SCHEMBL5095642 | 0.64 | GSK3B (0.43) | — | |
| SCHEMBL3563586 | 0.63 | GSK3B (0.46) | — | |
| SCHEMBL5102710 | 0.60 | GSK3B (0.44) | — | |
| SCHEMBL5095587 | 0.60 | GSK3B (0.36) | — | |
| SCHEMBL5109402 | 0.60 | GSK3B (0.36) | — |
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-1480983-A1 | HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL-6,7,8,9-TETRAHYDROPYDIMIDO[1,2-A]PYRIMIDIN-4-ONE DERIVATIVES | Sanofi-Aventis (FR) | 2004-12-01 | — | — | EP | disclosed |
| WO-2003072579-A1 | HETEROARYL SUBSTITUTED 2-PYRIDINYL AND 2-PYRIMIDINYL -6,7,8,9- TETRAHYDROPYRIMIDO[1,2-a] PYRIMIDIN-4-ONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2003-09-04 | — | — | WO | disclosed |