⚠ 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 | |
|---|---|---|---|---|
| Ethane SCHEMBL20335527 | 0.72 | — | — | |
| SCHEMBL495780 | 0.71 | — | — | |
| SCHEMBL406 | 0.71 | — | — | |
| SCHEMBL22129809 | 0.67 | — | — | |
| Fluoromethane SCHEMBL28308915 | 0.67 | — | — | |
| Methane SCHEMBL25414241 | 0.63 | — | — | |
| SCHEMBL22129292 | 0.63 | — | — | |
| SCHEMBL20857704 | 0.63 | — | — | |
| SCHEMBL22129839 | 0.63 | — | — | |
| SCHEMBL20549069 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107488188-A | A kind of novel synthesis for preparing specially azoles amine key intermediate | 重庆圣华曦药业股份有限公司 | 2017-12-19 | — | — | CN | claimed |
| CN-113527079-B | Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof | 信越化学工业株式会社 | 2023-11-14 | — | — | CN | disclosed |
| CN-113527079-A | Method for preparing 2-isopropenyl-5-methyl-4-hexenoic acid and derivative alcohol and carboxylic ester thereof | 信越化学工业株式会社 | 2021-10-22 | — | — | CN | disclosed |
| WO-2020129749-A1 | METHOD FOR PRODUCING AMINE THROUGH REDUCTION OF AMIDE | 高砂香料工業株式会社 | 2020-06-25 | — | — | WO | disclosed |
| CN-104662027-B | Multicomponent mixture of magnesium alkoxide, magnesium halide and alcohol, method for the production thereof and use thereof in a method for producing a catalyst for olefin polymerization | 印度石油有限公司 | 2017-07-18 | — | — | CN | disclosed |