⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17854853 | 1.00 | — | — | |
| SCHEMBL18611202 | 1.00 | — | — | |
| SCHEMBL1660645 | 1.00 | — | — | |
| SCHEMBL1710094 | 1.00 | — | — | |
| SCHEMBL18306536 | 1.00 | — | — | |
| SCHEMBL12225580 | 1.00 | — | — | |
| SCHEMBL902956 | 0.90 | CA1 (0.41) | — | |
| SCHEMBL2347884 | 0.90 | CA1 (0.41) | — | |
| SCHEMBL5868458 | 0.82 | CA1 (0.42) | — | |
| SCHEMBL12574437 | 0.82 | — | — |
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-20230242526-A1 | Deuterated Pyridopyrimidinones And Their Use As Highly Selective Cyclin-Dependent Kinase 2 Inhibitors | ZENTAUR THERAPEUTICS INTERNATIONAL LIMITED (CN) | 2023-08-03 | — | — | US | disclosed |