⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20084333 | 0.84 | RAB9A (0.39) | — | |
| SCHEMBL20084262 | 0.83 | RAB9A (0.32) | — | |
| SCHEMBL20085051 | 0.78 | — | — | |
| SCHEMBL20085114 | 0.75 | RAB9A (0.39) | — | |
| SCHEMBL20085065 | 0.74 | — | — | |
| SCHEMBL21572143 | 0.74 | RAB9A (0.37) | — | |
| SCHEMBL20084487 | 0.73 | RAB9A (0.40) | — | |
| SCHEMBL21572155 | 0.71 | RAB9A (0.36) | — | |
| SCHEMBL20084271 | 0.71 | RAB9A (0.37) | — | |
| SCHEMBL21572145 | 0.71 | RAB9A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3312172-B1 | AMINOPYRAZOLE DERIVATIVES USEFUL AS SRC KINASE INHIBITORS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2020-05-06 | — | — | EP | disclosed |
| EP-3312172-A1 | AMINOPYRAZOLE DERIVATIVES | Chugai Seiyaku Kabushiki Kaisha (JP) | 2018-04-25 | — | — | EP | disclosed |