⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3276457 | 0.92 | — | — | |
| SCHEMBL28334 | 0.82 | — | — | |
| SCHEMBL3276475 | 0.76 | — | — | |
| SCHEMBL1259053 | 0.65 | — | — | |
| SCHEMBL17846158 | 0.60 | — | — | |
| Azetidine SCHEMBL15476648 | 0.60 | — | — | |
| SCHEMBL38045 | 0.59 | — | — | |
| SCHEMBL624731 | 0.59 | — | — | |
| SCHEMBL6690391 | 0.59 | — | — | |
| SCHEMBL27207 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110869368-A | Preparation method of (2S) -2- [ (1H-pyrazol-1-yl) methyl ] -1, 3-oxazinane derivative | 大正制药株式会社 | 2020-03-06 | — | — | CN | disclosed |
| EP-2123644-B1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2014-12-17 | — | — | EP | disclosed |
| US-8247403-B2 | Benzoxazepine derivatives and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-08-21 | — | — | US | disclosed |
| US-20100087418-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2010-04-08 | — | — | US | disclosed |
| EP-2123644-A1 | BENZOXAZEPINE DERIVATIVES AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-11-25 | — | — | EP | disclosed |
| EP-0175363-A2 | 4,5-Dihydro-3(2H)-pyridazinones, process for their preparation and their use | CASSELLA Aktiengesellschaft (DE) | 1986-03-26 | — | — | EP | disclosed |