⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL668433 | 0.88 | LMNA (0.31) | — | |
| SCHEMBL668075 | 0.74 | RIPK2 (0.33) | — | |
| SCHEMBL667049 | 0.67 | DHODH (0.32) | — | |
| SCHEMBL2466892 | 0.67 | CSNK2A2 (0.32) | — | |
| SCHEMBL666608 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL2464907 | 0.62 | RIPK1 (0.34) | — | |
| SCHEMBL666322 | 0.59 | DHODH (0.37) | — | |
| SCHEMBL1934770 | 0.58 | CSNK1D (0.37) | — | |
| SCHEMBL1936635 | 0.57 | TYK2 (0.33) | — | |
| SCHEMBL1919069 | 0.56 | CYP2C8 (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2539340-B1 | PYRAZOLOPYRIDAZINE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2014-08-27 | — | — | EP | disclosed |