⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2545587 | 0.78 | CA1 (0.38) | — | |
| SCHEMBL6442639 | 0.71 | LMNA (0.37) | — | |
| SCHEMBL6442643 | 0.71 | LMNA (0.37) | — | |
| SCHEMBL4911649 | 0.63 | — | — | |
| SCHEMBL20593177 | 0.62 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL20614239 | 0.62 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL20593176 | 0.62 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL890571 | 0.61 | MAPT (0.36) | — | |
| SCHEMBL890570 | 0.61 | MAPT (0.36) | — | |
| SCHEMBL4911638 | 0.59 | PDE4A (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-1865959-A2 | PROCESS FOR PREPARING PYRIDOÝ2,3-D¨PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDOÝ4,5-D¨PYRIMIDIN-2(1H)-ONE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2007-12-19 | — | — | EP | disclosed |
| WO-2006104917-A2 | PROCESS FOR PREPARING PYRIDO[2,3-D]PYRIMIDIN-7-ONE AND 3,4-DIHYDROPYRIMIDO[4,5-D]PYRIMIDIN-2(1H)-ONE DERIVATIVES | GLAXO GROUP LIMITED (GB) | 2006-10-05 | — | — | WO | disclosed |