⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2297737 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL4237662 | 0.58 | — | — | |
| SCHEMBL15208819 | 0.54 | — | — | |
| SCHEMBL3540329 | 0.54 | — | — | |
| SCHEMBL10761580 | 0.53 | — | — | |
| SCHEMBL30350024 | 0.52 | — | — | |
| SCHEMBL11600094 | 0.52 | — | — | |
| SCHEMBL7685426 | 0.52 | — | — | |
| SCHEMBL10606995 | 0.51 | — | — | |
| SCHEMBL9711600 | 0.51 | — | — |
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-1086105-A1 | FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2001-03-28 | — | — | EP | claimed |
| WO-1999065910-A1 | FUSED AZEPINONE CYCLIN DEPENDENT KINASE INHIBITORS | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1999-12-23 | — | — | WO | claimed |