⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL776786 | 0.75 | — | — | |
| SCHEMBL19843562 | 0.73 | — | — | |
| SCHEMBL24391231 | 0.73 | — | — | |
| SCHEMBL776681 | 0.73 | — | — | |
| SCHEMBL24387199 | 0.71 | — | — | |
| SCHEMBL19035762 | 0.69 | — | — | |
| SCHEMBL30341800 | 0.69 | — | — | |
| SCHEMBL777483 | 0.69 | — | — | |
| SCHEMBL20308319 | 0.67 | — | — | |
| SCHEMBL24867152 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119486992-A | PI3K alpha inhibitors and methods of use thereof | 传达治疗有限公司 | 2025-02-18 | — | — | CN | disclosed |