⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3107782 | 0.87 | — | — | |
| SCHEMBL3104684 | 0.87 | — | — | |
| SCHEMBL23707 | 0.87 | — | — | |
| SCHEMBL29101700 | 0.84 | — | — | |
| SCHEMBL21753963 | 0.84 | — | — | |
| SCHEMBL29101699 | 0.82 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28156321 | 0.78 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL27801454 | 0.75 | — | — | |
| SCHEMBL17607617 | 0.73 | METAP1 (0.36) | — | |
| Magnesium Chloride Anhydrous SCHEMBL29032112 | 0.72 | LMNA (0.33) | — |
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-111348994-B | Process for preparing 4-methyl-5-nonene and 4-methyl-5-nonanol | 信越化学工业株式会社 | 2023-10-27 | — | — | CN | disclosed |