⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9997983 | 0.77 | ESR2 (0.31) | — | |
| SCHEMBL7764371 | 0.76 | — | — | |
| SCHEMBL28873537 | 0.74 | THRB (0.50) | — | |
| SCHEMBL2756965 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL21408675 | 0.73 | CA1 (0.31) | — | |
| SCHEMBL2706882 | 0.73 | TRIM24 (0.30) | — | |
| SCHEMBL5918175 | 0.73 | TRIM24 (0.30) | — | |
| SCHEMBL5918251 | 0.72 | TRIM24 (0.33) | — | |
| SCHEMBL26689102 | 0.72 | TRIM24 (0.33) | — | |
| SCHEMBL852532 | 0.72 | TRIM24 (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-109704932-A | Catalytic hydrogenation prepares 2,6- di-t-butyl -4 methyl cyclohexanol method | 中国石油化工股份有限公司 | 2019-05-03 | — | — | CN | disclosed |