⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28117473 | 0.76 | — | — | |
| SCHEMBL10406271 | 0.68 | CHRM2 (0.32) | — | |
| SCHEMBL10406590 | 0.68 | CHRM2 (0.32) | — | |
| SCHEMBL9629834 | 0.66 | CHRM2 (0.39) | — | |
| SCHEMBL9629830 | 0.65 | CHRM2 (0.34) | — | |
| SCHEMBL2216626 | 0.65 | — | — | |
| Fumaric Acid SCHEMBL1535857 | 0.62 | TSHR (0.41) | — | |
| SCHEMBL9628843 | 0.62 | CHRM2 (0.39) | — | |
| Maleic Acid SCHEMBL1535855 | 0.62 | TSHR (0.41) | — | |
| SCHEMBL9628840 | 0.62 | CHRM2 (0.35) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109553707-A | A kind of catalytic component, catalyst and application for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-109553708-A | A kind of catalytic component and preparation method thereof for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-109553709-A | A kind of catalytic component and its catalyst for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | claimed |
| CN-107108871-B | The manufacturing method of polyester | 日本曹达株式会社 | 2019-04-30 | — | — | CN | disclosed |
| CN-109553707-A | A kind of catalytic component, catalyst and application for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109553709-A | A kind of catalytic component and its catalyst for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-109553708-A | A kind of catalytic component and preparation method thereof for olefinic polymerization | 中国石油化工股份有限公司 | 2019-04-02 | — | — | CN | disclosed |
| CN-107108871-A | The manufacture method of polyester | 日本曹达株式会社 | 2017-08-29 | — | — | CN | disclosed |
| CN-104981464-B | The technique for preparing cyclic ester and cyclic amide | 道达尔研究技术弗吕公司 | 2017-08-15 | — | — | CN | disclosed |
| CN-103764708-B | Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate | 东洋油墨SC控股株式会社 | 2016-12-14 | — | — | CN | disclosed |