⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4448362 | 0.72 | — | — | |
| SCHEMBL2682411 | 0.72 | — | — | |
| SCHEMBL2681250 | 0.72 | — | — | |
| SCHEMBL19638262 | 0.69 | CYP3A4 (0.36) | — | |
| SCHEMBL24919531 | 0.67 | — | — | |
| SCHEMBL25481667 | 0.67 | — | — | |
| SCHEMBL25481670 | 0.67 | — | — | |
| SCHEMBL25481664 | 0.67 | — | — | |
| SCHEMBL24898791 | 0.67 | — | — | |
| SCHEMBL24918432 | 0.67 | — | — |
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-107417505-B | Preparation method of alpha-halogenated tetramethyl cyclohexanone and (2,3,4, 4-tetramethylcyclopentyl) methyl carboxylic ester | 信越化学工业株式会社 | 2021-04-06 | — | — | CN | disclosed |