⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8744824 | 0.75 | — | — | |
| SCHEMBL24270258 | 0.74 | — | — | |
| SCHEMBL18993852 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL8677748 | 0.71 | — | — | |
| SCHEMBL8744907 | 0.69 | — | — | |
| SCHEMBL26047289 | 0.68 | — | — | |
| SCHEMBL11448233 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL576278 | 0.66 | TSHR (0.47) | — | |
| SCHEMBL10942220 | 0.66 | TSHR (0.47) | — | |
| SCHEMBL25013267 | 0.66 | — | — |
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-3199533-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2017-08-02 | — | — | EP | disclosed |