⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18951911 | 0.80 | — | — | |
| SCHEMBL16655512 | 0.80 | — | — | |
| SCHEMBL10603922 | 0.77 | — | — | |
| SCHEMBL15824846 | 0.75 | HDAC6 (0.52) | — | |
| SCHEMBL28897873 | 0.74 | MAPK1 (0.33) | — | |
| SCHEMBL19953833 | 0.74 | HDAC2 (0.33) | — | |
| SCHEMBL15819854 | 0.74 | CHRM3 (0.43) | — | |
| SCHEMBL1259103 | 0.71 | — | — | |
| SCHEMBL4566089 | 0.68 | — | — | |
| SCHEMBL12045441 | 0.67 | MAPT (0.37) | — |
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-112105605-A | Substituted cyclohexyl compounds as NOP inhibitors | 达特神经科学有限公司 | 2020-12-18 | — | — | CN | disclosed |
| EP-2651930-B1 | BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION | BOEHRINGER INGELHEIM INT (DE) | 2015-10-28 | — | — | EP | disclosed |