⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10346978 | 1.00 | — | — | |
| SCHEMBL182648 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL9593302 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL16181330 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL7613454 | 0.73 | — | — | |
| SCHEMBL319621 | 0.73 | — | — | |
| SCHEMBL1015493 | 0.73 | — | — | |
| SCHEMBL193238 | 0.73 | — | — | |
| SCHEMBL319622 | 0.73 | — | — | |
| SCHEMBL247438 | 0.73 | — | — |
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-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 |
| EP-3901125-B1 | PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF | SHINETSU CHEMICAL CO (JP) | 2023-01-18 | — | — | EP | disclosed |
| US-11286227-B2 | Processes for preparing 2-isopropenyl-5-methyl-4-hexenoic acid, 2-isopropenyl-5-methyl-4-hexen-1-ol, and a carboxylate ester thereof | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2022-03-29 | — | — | US | disclosed |
| EP-3901125-A1 | PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF | Shin-Etsu Chemical Co., Ltd. (JP) | 2021-10-27 | — | — | EP | 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 |
| US-20210323902-A1 | PROCESSES FOR PREPARING 2-ISOPROPENYL-5-METHYL-4-HEXENOIC ACID, 2-ISOPROPENYL-5-METHYL-4-HEXEN-1-OL, AND A CARBOXYLATE ESTER THEREOF | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2021-10-21 | — | — | US | disclosed |