⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9880644 | 0.75 | — | — | |
| SCHEMBL384814 | 0.72 | — | — | |
| SCHEMBL30124861 | 0.72 | — | — | |
| SCHEMBL30206002 | 0.70 | — | — | |
| SCHEMBL2489829 | 0.70 | — | — | |
| SCHEMBL1647227 | 0.70 | — | — | |
| SCHEMBL14722201 | 0.70 | PDE10A (0.36) | — | |
| SCHEMBL15794303 | 0.70 | POLB (0.40) | — | |
| SCHEMBL3652695 | 0.68 | — | — | |
| SCHEMBL8932268 | 0.68 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102924386-B | Industrial preparation method of 4-bromopyridazine | UNIV LUOYANG NORMAL | 2014-12-03 | — | — | CN | claimed |
| CN-102924386-B | Industrial preparation method of 4-bromopyridazine | UNIV LUOYANG NORMAL | 2014-12-03 | — | — | CN | disclosed |