⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15906219 | 0.82 | SLC6A2 (0.39) | — | |
| SCHEMBL14396577 | 0.78 | TMEM97 (0.33) | — | |
| SCHEMBL11638870 | 0.77 | SLC6A2 (0.30) | — | |
| SCHEMBL24080142 | 0.76 | LTA4H (0.36) | — | |
| SCHEMBL1661228 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL10266016 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL9246549 | 0.74 | — | — | |
| SCHEMBL12449085 | 0.74 | LTA4H (0.38) | — | |
| SCHEMBL8283396 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL18731298 | 0.74 | — | — |
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-1912949-B1 | CYCLOHEXYLAMIN ISOQUINOLONE DERIVATIVES AS RHO-KINASE INHIBITORS | SANOFI SA (FR) | 2011-08-24 | — | — | EP | disclosed |