⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8471815 | 0.64 | — | — | |
| SCHEMBL18876827 | 0.61 | DRD3 (0.30) | — | |
| Cyclohexylamine SCHEMBL4302376 | 0.61 | THRB (0.35) | — | |
| SCHEMBL19090281 | 0.61 | — | — | |
| SCHEMBL21670980 | 0.61 | — | — | |
| SCHEMBL17282149 | 0.60 | — | — | |
| SCHEMBL15822636 | 0.59 | — | — | |
| SCHEMBL19228792 | 0.58 | CYP1A2 (0.43) | — | |
| SCHEMBL21734166 | 0.58 | TSHR (0.34) | — | |
| SCHEMBL24370659 | 0.56 | — | — |
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-3312172-B1 | AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2020-05-06 | — | — | EP | disclosed |