⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29427881 | 0.71 | GSK3A (0.39) | — | |
| SCHEMBL725528 | 0.71 | GSK3A (0.39) | — | |
| SCHEMBL4223695 | 0.69 | PDE3B (0.34) | — | |
| SCHEMBL10513055 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL10510845 | 0.65 | — | — | |
| SCHEMBL16986332 | 0.65 | — | — | |
| SCHEMBL30130240 | 0.65 | SIGMAR1 (0.36) | — | |
| Hydrochloric Acid SCHEMBL28956073 | 0.63 | — | — | |
| SCHEMBL27998030 | 0.63 | — | — | |
| SCHEMBL5787789 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100197590-A1 | 4-AMINO-7,8-DIHYDROPYRIDO[4,3-d]PYRIMIDIN-5(6H)-ONE DERIVATIVES | PFIZER INC | 2010-08-05 | — | — | US | disclosed |