⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20084829 | 0.88 | — | — | |
| SCHEMBL20084855 | 0.88 | RAB9A (0.31) | — | |
| SCHEMBL20084024 | 0.84 | HPGD (0.34) | — | |
| SCHEMBL20084859 | 0.83 | BRD9 (0.33) | — | |
| SCHEMBL20084836 | 0.83 | BRD4 (0.31) | — | |
| SCHEMBL20085113 | 0.83 | — | — | |
| SCHEMBL20085089 | 0.82 | BRD4 (0.31) | — | |
| SCHEMBL20085067 | 0.81 | BRD9 (0.32) | — | |
| SCHEMBL20085065 | 0.79 | — | — | |
| SCHEMBL20084768 | 0.79 | — | — |
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 |