⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28181221 | 0.79 | TSHR (0.30) | — | |
| SCHEMBL3036180 | 0.76 | TDP1 (0.36) | — | |
| SCHEMBL3036177 | 0.76 | — | — | |
| SCHEMBL599087 | 0.76 | TSHR (0.33) | — | |
| SCHEMBL10632090 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL28181224 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL28437192 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL9750707 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL84256 | 0.69 | — | — | |
| SCHEMBL3302856 | 0.69 | TSHR (0.32) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112661882-B | Application of cyclohexene-1,2-dicarboxylic acid ester compound | 中国石油化工股份有限公司 | 2022-10-21 | — | — | CN | claimed |
| CN-112661882-A | Application of cyclohexene-1, 2-dicarboxylate compound | 中国石油化工股份有限公司 | 2021-04-16 | — | — | CN | claimed |
| CN-107344976-B | Catalyst component for olefin polymerization, catalyst system and application thereof | 中国石油化工股份有限公司 | 2021-03-16 | — | — | CN | claimed |
| CN-107344973-B | Catalyst component for olefin polymerization, catalyst system and application thereof | 中国石油化工股份有限公司 | 2021-03-16 | — | — | CN | claimed |
| CN-112661882-B | Application of cyclohexene-1,2-dicarboxylic acid ester compound | 中国石油化工股份有限公司 | 2022-10-21 | — | — | CN | disclosed |
| CN-112661882-A | Application of cyclohexene-1, 2-dicarboxylate compound | 中国石油化工股份有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-107344976-B | Catalyst component for olefin polymerization, catalyst system and application thereof | 中国石油化工股份有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-107344973-B | Catalyst component for olefin polymerization, catalyst system and application thereof | 中国石油化工股份有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-109111536-B | Catalyst component for olefin polymerization and catalyst thereof | 中国石油化工股份有限公司 | 2021-03-16 | — | — | CN | disclosed |
| CN-109111539-B | Catalyst component for olefin polymerization and catalyst thereof | 中国石油化工股份有限公司 | 2021-02-05 | — | — | CN | disclosed |
| CN-109111539-A | Catalytic component and its catalyst for olefinic polymerization | 中国石油化工股份有限公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-109111536-A | Catalytic component and its catalyst for olefinic polymerization | 中国石油化工股份有限公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-105504109-B | For catalyst constituent for olefinic polymerization and its catalyst | 中国石油化工股份有限公司 | 2017-12-19 | — | — | CN | disclosed |
| CN-107344976-A | Catalytic component, catalyst system and its application for olefinic polymerization | 中国石油化工股份有限公司 | 2017-11-14 | — | — | CN | disclosed |
| CN-107344973-A | Catalytic component, catalyst system and its application for olefinic polymerization | 中国石油化工股份有限公司 | 2017-11-14 | — | — | CN | disclosed |