⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5007817 | 0.78 | — | — | |
| SCHEMBL14872257 | 0.75 | — | — | |
| SCHEMBL28599888 | 0.73 | — | — | |
| SCHEMBL13528618 | 0.73 | — | — | |
| SCHEMBL5075375 | 0.72 | — | — | |
| SCHEMBL16992922 | 0.67 | — | — | |
| SCHEMBL4578253 | 0.65 | — | — | |
| SCHEMBL789371 | 0.65 | — | — | |
| SCHEMBL17973988 | 0.64 | — | — | |
| SCHEMBL12117541 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116987040-A | Dibenzodiazepine derivative and preparation method and application thereof | 中国中医科学院中药研究所 | 2023-11-03 | — | — | CN | disclosed |
| CN-106459100-B | The manufacturing method of tetraalkoxysilane | 国立研究开发法人产业技术综合研究所 | 2019-04-23 | — | — | CN | disclosed |
| CN-109096424-A | A kind of catalyst and olefine polymerizing process for olefinic polymerization | 中国石油化工股份有限公司 | 2018-12-28 | — | — | CN | disclosed |
| CN-106459100-A | Method for producing tetraalkoxysilane | 国立研究开发法人产业技术综合研究所 | 2017-02-22 | — | — | CN | disclosed |
| EP-2207763-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED AND UNSUBSTITUTED CYCLOHEXANONE MONOKETALS | Bayer CropScience AG (DE) | 2010-07-21 | — | — | EP | disclosed |
| US-7648811-B2 | Branched polyarylene ethers and processes for the preparation thereof | XEROX CORPORATION (US) | 2010-01-19 | — | — | US | disclosed |
| WO-2009056233-A1 | METHOD FOR THE PRODUCTION OF SUBSTITUTED AND UNSUBSTITUTED CYCLOHEXANONE MONOKETALS | BAYER CROPSCIENCE AG (DE) | 2009-05-07 | — | — | WO | disclosed |
| US-7396895-B2 | Branched polyarylene ethers and processes for the preparation thereof | XEROX CORPORATION (US) | 2008-07-08 | — | — | US | disclosed |
| US-20080118853-A1 | BRANCHED POLYARYLENE ETHERS AND PROCESSES FOR THE PREPARATION THEREOF | XEROX CORPORATION (US) | 2008-05-22 | — | — | US | disclosed |