⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14016194 | 0.76 | — | — | |
| SCHEMBL2291829 | 0.75 | — | — | |
| SCHEMBL12906754 | 0.75 | — | — | |
| SCHEMBL24220257 | 0.69 | — | — | |
| SCHEMBL685562 | 0.65 | — | — | |
| SCHEMBL13996802 | 0.65 | — | — | |
| SCHEMBL12237550 | 0.65 | — | — | |
| SCHEMBL19035433 | 0.62 | — | — | |
| SCHEMBL15580548 | 0.62 | — | — | |
| SCHEMBL8517985 | 0.62 | — | — |
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-3988551-A1 | CDK KINASE INHIBITOR | Beijing Benicall Biotech Co., Ltd. (CN) | 2022-04-27 | — | — | EP | disclosed |