⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6829880 | 0.72 | — | — | |
| SCHEMBL5841544 | 0.71 | SLC22A12 (0.38) | — | |
| SCHEMBL5843902 | 0.70 | RORC (0.31) | — | |
| SCHEMBL6595277 | 0.66 | — | — | |
| SCHEMBL5842751 | 0.65 | — | — | |
| SCHEMBL5844972 | 0.63 | PGR (0.36) | — | |
| SCHEMBL8004751 | 0.62 | CYP4F2 (0.42) | — | |
| SCHEMBL5843327 | 0.61 | TRPV4 (0.34) | — | |
| SCHEMBL5842168 | 0.60 | ACLY (0.35) | — | |
| SCHEMBL5842748 | 0.60 | PGR (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1070055-A1 | SUBSTITUTED PHENYL PYRIDAZINONES | Bayer Aktiengesellschaft (DE) | 2001-01-24 | — | — | EP | disclosed |
| US-6159903-A | Substituted 2-aryl-1,2,4-triazine-3,5-di(thi)ones as herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 2000-12-12 | — | — | US | disclosed |
| WO-2000008000-A1 | USE OF SUBSTITUTED TRIAZINONES AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-02-17 | — | — | WO | disclosed |
| WO-1999052878-A1 | SUBSTITUTED PHENYL PYRIDAZINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1999-10-21 | — | — | WO | disclosed |