⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19897 | 0.84 | — | — | |
| SCHEMBL20212053 | 0.81 | — | — | |
| SCHEMBL29073851 | 0.79 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL21067032 | 0.79 | — | — | |
| SCHEMBL11740350 | 0.69 | — | — | |
| SCHEMBL28214699 | 0.68 | — | — | |
| SCHEMBL28649493 | 0.66 | — | — | |
| SCHEMBL21067020 | 0.65 | — | — | |
| SCHEMBL116540 | 0.65 | — | — | |
| SCHEMBL47793 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109956850-B | Process for producing 3, 7-dimethyl-7-octenyl alcohol and 3, 7-dimethyl-7-octenyl carboxylate compound | 信越化学工业株式会社 | 2022-06-21 | — | — | CN | disclosed |