⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28481306 | 0.65 | — | — | |
| SCHEMBL3634152 | 0.64 | — | — | |
| SCHEMBL16335091 | 0.63 | — | — | |
| SCHEMBL16335093 | 0.63 | — | — | |
| SCHEMBL1590186 | 0.59 | — | — | |
| SCHEMBL4777648 | 0.58 | CHRM2 (0.30) | — | |
| SCHEMBL7339263 | 0.57 | — | — | |
| SCHEMBL9853258 | 0.55 | — | — | |
| SCHEMBL2039363 | 0.55 | — | — | |
| Water SCHEMBL15388360 | 0.49 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3416969-A1 | FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS | The Regents of The University of Michigan (US) | 2018-12-26 | — | — | EP | claimed |
| WO-2017142881-A1 | FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-08-24 | — | — | WO | claimed |
| CN-115038707-A | Azepine condensed ring compound and medical application thereof | 中国医药研究开发中心有限公司 | 2022-09-09 | — | — | CN | disclosed |