⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9876389 | 0.91 | — | — | |
| SCHEMBL28303223 | 0.89 | — | — | |
| SCHEMBL28301765 | 0.87 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL21067030 | 0.87 | HSD17B10 (0.31) | — | |
| SCHEMBL21067008 | 0.77 | PTPN1 (0.32) | — | |
| SCHEMBL6415627 | 0.76 | — | — | |
| SCHEMBL6579835 | 0.75 | — | — | |
| SCHEMBL14815816 | 0.74 | — | — | |
| SCHEMBL1296360 | 0.74 | — | — | |
| SCHEMBL28662731 | 0.72 | DNM1 (0.36) | — |
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 |