⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2419624 | 0.65 | — | — | |
| SCHEMBL18506062 | 0.59 | — | — | |
| SCHEMBL10845885 | 0.57 | — | — | |
| SCHEMBL16076224 | 0.57 | — | — | |
| SCHEMBL10296388 | 0.55 | — | — | |
| SCHEMBL3384844 | 0.55 | — | — | |
| SCHEMBL6036786 | 0.55 | — | — | |
| SCHEMBL19493497 | 0.54 | — | — | |
| SCHEMBL19527451 | 0.54 | — | — | |
| SCHEMBL13918173 | 0.52 | — | — |
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-113348165-B | 1,2, 4-Triazin-3 (2H) -one compounds for the treatment of hyperproliferative diseases | 拜耳股份有限公司 | 2024-06-25 | — | — | CN | disclosed |