⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23950507 | 0.83 | — | — | |
| SCHEMBL23924433 | 0.80 | TSHR (0.31) | — | |
| SCHEMBL23923965 | 0.78 | HSD17B10 (0.31) | — | |
| SCHEMBL23924430 | 0.78 | — | — | |
| SCHEMBL23924267 | 0.78 | — | — | |
| SCHEMBL23927793 | 0.78 | — | — | |
| SCHEMBL23924027 | 0.78 | — | — | |
| Bromide SCHEMBL23924144 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL23924469 | 0.77 | — | — | |
| SCHEMBL13154383 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3901122-B1 | PROCESS FOR PREPARING 6-ISOPROPENYL-3-METHYL-9-DECENYL ACETATE | SHINETSU CHEMICAL CO (JP) | 2023-11-15 | — | — | EP | disclosed |
| EP-3901122-A1 | PROCESS FOR PREPARING 6-ISOPROPENYL-3-METHYL-9-DECENYL ACETATE AND INTERMEDIATES THEREOF | Shin-Etsu Chemical Co., Ltd. (JP) | 2021-10-27 | — | — | EP | disclosed |