⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2730362 | 0.74 | — | — | |
| SCHEMBL16118077 | 0.72 | — | — | |
| SCHEMBL30577758 | 0.70 | — | — | |
| SCHEMBL12871198 | 0.69 | — | — | |
| SCHEMBL13845917 | 0.68 | BACE1 (0.47) | — | |
| SCHEMBL7339315 | 0.66 | — | — | |
| SCHEMBL12885047 | 0.66 | — | — | |
| SCHEMBL7248302 | 0.64 | — | — | |
| SCHEMBL12871192 | 0.63 | CFTR (0.33) | — | |
| SCHEMBL14818197 | 0.60 | — | — |
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-20060009445-A1 | Tumor-inhibiting anellated azepinone derivatives | FAUSTUS FORSCHUNGS CIE. TRANSLATIONAL CANCER RESEARCH GMBH | 2006-01-12 | — | — | US | disclosed |