⚠ 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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL28747296 | 1.00 | THRB (0.47) | — | |
| Cyclohexylamine SCHEMBL2636378 | 1.00 | — | — | |
| Cyclohexylamine SCHEMBL28795780 | 0.96 | THRB (0.44) | — | |
| Cyclohexylamine SCHEMBL28173406 | 0.96 | — | — | |
| Cyclooctanamine SCHEMBL27832223 | 0.96 | THRB (0.44) | — | |
| Cyclohexylamine SCHEMBL2686292 | 0.96 | — | — | |
| SCHEMBL23379885 | 0.96 | THRB (0.50) | — | |
| SCHEMBL20726193 | 0.96 | THRB (0.50) | — | |
| SCHEMBL20858602 | 0.96 | THRB (0.50) | — | |
| SCHEMBL23379889 | 0.96 | THRB (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3388419-A1 | GLI1 INHIBITORS AND USES THEREOF | Leadiant Biosciences SA (CH) | 2018-10-17 | — | — | EP | disclosed |