⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11214344 | 1.00 | — | — | |
| SCHEMBL11214342 | 1.00 | — | — | |
| SCHEMBL4973837 | 0.87 | — | — | |
| SCHEMBL4973846 | 0.87 | — | — | |
| SCHEMBL11428283 | 0.78 | DNM1 (0.40) | — | |
| SCHEMBL10933285 | 0.78 | — | — | |
| SCHEMBL11428280 | 0.78 | DNM1 (0.40) | — | |
| SCHEMBL10604619 | 0.78 | — | — | |
| SCHEMBL2246700 | 0.76 | — | — | |
| SCHEMBL2246707 | 0.76 | — | — |
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-3315492-A1 | PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2018-05-02 | — | — | EP | disclosed |