⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18418957 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL4649529 | 0.75 | — | — | |
| SCHEMBL11797631 | 0.74 | KDM4E (0.35) | — | |
| SCHEMBL51692 | 0.73 | — | — | |
| SCHEMBL26189385 | 0.73 | LMNA (0.40) | — | |
| SCHEMBL10472422 | 0.72 | — | — | |
| SCHEMBL2830520 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL7149208 | 0.70 | — | — | |
| SCHEMBL7696374 | 0.70 | — | — | |
| SCHEMBL5051429 | 0.69 | ALDH1A1 (0.45) | — |
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 |