⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5682355 | 0.86 | CETP (0.33) | — | |
| SCHEMBL5678679 | 0.85 | CNR1 (0.35) | — | |
| SCHEMBL27988306 | 0.82 | — | — | |
| SCHEMBL27702552 | 0.80 | — | — | |
| SCHEMBL322047 | 0.72 | SLC6A4 (0.35) | — | |
| SCHEMBL1988629 | 0.72 | SLC6A4 (0.35) | — | |
| SCHEMBL5049749 | 0.72 | SLC6A4 (0.35) | — | |
| SCHEMBL27533799 | 0.72 | SLC6A4 (0.35) | — | |
| SCHEMBL714224 | 0.71 | — | — | |
| SCHEMBL27831121 | 0.70 | CYP2C19 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112358380-B | Synthesis method of 4- (4' -alkylcyclohexyl) cyclohexanol | 惠泽化学科技(濮阳)有限公司 | 2023-03-31 | — | — | CN | disclosed |
| CN-112358380-A | Synthesis method of 4- (4' -alkylcyclohexyl) cyclohexanol | 惠泽化学科技(濮阳)有限公司 | 2021-02-12 | — | — | CN | disclosed |