⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4345513 | 0.81 | — | — | |
| SCHEMBL18766887 | 0.63 | — | — | |
| SCHEMBL19491707 | 0.58 | — | — | |
| SCHEMBL12595238 | 0.58 | — | — | |
| SCHEMBL29080218 | 0.56 | — | — | |
| Methylhydrazine SCHEMBL631149 | 0.55 | — | — | |
| SCHEMBL22053152 | 0.55 | — | — | |
| SCHEMBL16090232 | 0.55 | — | — | |
| SCHEMBL1618307 | 0.54 | — | — | |
| Water SCHEMBL486602 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3127541-B1 | CERTAIN AMINO-PYRIDAZINES, COMPOSITIONS THEREOF, AND METHODS OF THEIR USE | CYTOKINETICS INC (US) | 2019-07-17 | — | — | EP | disclosed |