⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30932824 | 1.00 | — | — | |
| SCHEMBL24925891 | 0.82 | PARP1 (0.32) | — | |
| SCHEMBL581560 | 0.65 | MAPK1 (0.32) | — | |
| SCHEMBL30375516 | 0.65 | MAPK1 (0.32) | — | |
| SCHEMBL30101051 | 0.65 | MAPK1 (0.37) | — | |
| SCHEMBL14843025 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL24925955 | 0.63 | — | — | |
| SCHEMBL24379631 | 0.62 | NSD2 (0.35) | — | |
| SCHEMBL24575351 | 0.62 | — | — | |
| SCHEMBL30932816 | 0.62 | NSD2 (0.35) | — |
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-118234711-A | Cyclopyridazine compounds | 尼科治疗有限公司 | 2024-06-21 | — | — | CN | disclosed |