⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30927080 | 0.76 | — | — | |
| SCHEMBL27809794 | 0.76 | — | — | |
| SCHEMBL13806408 | 0.72 | — | — | |
| SCHEMBL29139323 | 0.72 | — | — | |
| SCHEMBL7041041 | 0.72 | — | — | |
| SCHEMBL3310324 | 0.67 | — | — | |
| SCHEMBL163782 | 0.67 | — | — | |
| SCHEMBL1667413 | 0.66 | — | — | |
| SCHEMBL28308797 | 0.65 | — | — | |
| SCHEMBL2946266 | 0.63 | — | — |
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-113490850-B | Diagnostic and therapeutic methods for treating breast cancer | 基因泰克公司 | 2024-12-06 | — | — | CN | disclosed |