⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL219215 | 0.72 | — | — | |
| SCHEMBL5285232 | 0.60 | GSK3A (0.39) | — | |
| SCHEMBL29419946 | 0.60 | GSK3A (0.39) | — | |
| SCHEMBL218116 | 0.60 | — | — | |
| SCHEMBL29448581 | 0.59 | — | — | |
| SCHEMBL25192251 | 0.59 | CDC25B (0.38) | — | |
| SCHEMBL30558038 | 0.59 | CDC25B (0.38) | — | |
| SCHEMBL25220906 | 0.58 | CDC25B (0.37) | — | |
| SCHEMBL9936884 | 0.57 | — | — | |
| SCHEMBL1815177 | 0.54 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8507470-B2 | Substituted arylamide oxazepinopyrimidone derivatives | SANOFI (FR) | 2013-08-13 | — | — | US | disclosed |
| US-8501728-B2 | Substituted heteroarylamide oxazepinopyrimidone derivatives | SANOFI (FR) | 2013-08-06 | — | — | US | disclosed |
| CN-101981039-A | Substituted heteroaryl amidooxazepine pyrimidinone derivatives | SANOFI AVENTIS | 2011-02-23 | — | — | CN | disclosed |
| CN-101959893-A | Substituted arylamidooxazepinopyrimidinone derivatives | SANOFI AVENTIS | 2011-01-26 | — | — | CN | disclosed |
| EP-2085399-A1 | substituted arylamide oxazepinopyrimidone derivatives | Sanofi-Aventis (FR) | 2009-08-05 | — | — | EP | disclosed |
| EP-2085400-A1 | Substituted heteroarylamide oxazepinopyrimidone derivatives | Sanofi-Aventis (FR) | 2009-08-05 | — | — | EP | disclosed |