⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL84323 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL5467742 | 0.73 | — | — | |
| SCHEMBL862169 | 0.70 | — | — | |
| Methylamine SCHEMBL5477759 | 0.70 | — | — | |
| Dimethylamine SCHEMBL5468266 | 0.70 | — | — | |
| Malonic Acid SCHEMBL2412964 | 0.67 | LDHA (0.69) | — | |
| Malonic Acid SCHEMBL2509322 | 0.67 | LDHA (0.69) | — | |
| Trimethylammonium SCHEMBL1730212 | 0.67 | — | — | |
| SCHEMBL54079 | 0.67 | — | — | |
| SCHEMBL4748477 | 0.67 | ALDH1A1 (0.54) | — |
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-115947691-B | Pyridazine sulfone derivative and application thereof | 四川大学 | 2024-08-16 | — | — | CN | disclosed |