⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25206594 | 0.82 | LMNA (0.35) | — | |
| SCHEMBL10627705 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL3116716 | 0.71 | — | — | |
| SCHEMBL6718965 | 0.71 | — | — | |
| SCHEMBL10455937 | 0.71 | — | — | |
| SCHEMBL115812 | 0.69 | — | — | |
| SCHEMBL2333893 | 0.69 | — | — | |
| Bromide SCHEMBL28663464 | 0.69 | — | — | |
| SCHEMBL28803504 | 0.67 | — | — | |
| SCHEMBL7654 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |