⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129324 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1031787 | 0.94 | — | — | |
| SCHEMBL29575307 | 0.94 | — | — | |
| Propane SCHEMBL6193423 | 0.86 | — | — | |
| Butane SCHEMBL28126352 | 0.84 | DRD2 (0.39) | — | |
| Oxalic Acid SCHEMBL27649777 | 0.82 | LCK (0.48) | — | |
| Phosphonic Acid SCHEMBL27762789 | 0.82 | CES2 (0.39) | — | |
| Toluene SCHEMBL27736536 | 0.78 | ACHE (0.48) | — | |
| SCHEMBL28393237 | 0.75 | TSHR (0.50) | — | |
| SCHEMBL27445546 | 0.73 | LCK (0.41) | — |
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-107722253-B | A kind of catalyst for carbon dioxide and cyclohexene oxide copolyreaction preparation polycyclohexene | 河南工程学院 | 2019-11-22 | — | — | CN | disclosed |
| CN-107778473-B | A kind of catalyst for carbon dioxide and 7-oxa-bicyclo[4.1.0 copolyreaction preparation polycyclohexene | 河南工程学院 | 2019-11-08 | — | — | CN | disclosed |
| CN-107641198-B | The method that carbon dioxide and cyclohexene oxide copolyreaction prepare fatty poly-ester carbonate | 河南工程学院 | 2019-07-12 | — | — | CN | disclosed |
| CN-107778473-A | A kind of catalyst for preparing polycyclohexene with 7-oxa-bicyclo[4.1.0 copolyreaction for carbon dioxide | 河南工程学院 | 2018-03-09 | — | — | CN | disclosed |
| CN-107722253-A | A kind of catalyst for preparing polycyclohexene with cyclohexene oxide copolyreaction for carbon dioxide | 河南工程学院 | 2018-02-23 | — | — | CN | disclosed |
| CN-107641198-A | The method that carbon dioxide prepares fatty poly-ester carbonate with cyclohexene oxide copolyreaction | 河南工程学院 | 2018-01-30 | — | — | CN | disclosed |