⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL225685 | 0.76 | — | — | |
| SCHEMBL7707962 | 0.72 | — | — | |
| Water SCHEMBL7712020 | 0.69 | — | — | |
| SCHEMBL27499674 | 0.64 | — | — | |
| SCHEMBL1527468 | 0.64 | — | — | |
| SCHEMBL647389 | 0.62 | — | — | |
| SCHEMBL365239 | 0.62 | — | — | |
| Ammonia Solution, Strong SCHEMBL5551020 | 0.59 | — | — | |
| Water SCHEMBL8030087 | 0.59 | — | — | |
| SCHEMBL1652664 | 0.59 | — | — |
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-1196353-A | Pyridazin-3-one derivatives and their use | SUMITOMO CHEMICAL CO (JP) | 1998-10-21 | — | — | CN | disclosed |