⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7754491 | 0.82 | — | — | |
| SCHEMBL7744854 | 0.82 | — | — | |
| SCHEMBL7753474 | 0.80 | NR3C2 (0.33) | — | |
| SCHEMBL7753803 | 0.80 | — | — | |
| SCHEMBL7747648 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL7747635 | 0.77 | L3MBTL1 (0.31) | — | |
| SCHEMBL7745249 | 0.76 | HCRTR1 (0.30) | — | |
| SCHEMBL7744928 | 0.74 | — | — | |
| SCHEMBL5842147 | 0.74 | SLC9A1 (0.33) | — | |
| SCHEMBL7755890 | 0.74 | TP53 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1305466-A | Substituted phenyl pyridazinones | BAYER AG (DE) | 2001-07-25 | — | — | CN | disclosed |
| EP-1070055-A1 | SUBSTITUTED PHENYL PYRIDAZINONES | Bayer Aktiengesellschaft (DE) | 2001-01-24 | — | — | EP | disclosed |
| WO-1999052878-A1 | SUBSTITUTED PHENYL PYRIDAZINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-21 | — | — | WO | disclosed |