⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8808365 | 0.73 | FFAR1 (0.31) | — | |
| SCHEMBL7740209 | 0.72 | — | — | |
| SCHEMBL5844125 | 0.72 | GPR35 (0.38) | — | |
| SCHEMBL5843253 | 0.63 | PTGS2 (0.33) | — | |
| SCHEMBL5843249 | 0.63 | PTGS2 (0.33) | — | |
| SCHEMBL5842695 | 0.62 | KDM4E (0.39) | — | |
| SCHEMBL5843327 | 0.62 | TRPV4 (0.34) | — | |
| SCHEMBL5843665 | 0.61 | ALDH1A1 (0.36) | — | |
| SCHEMBL5843414 | 0.61 | TRPV4 (0.38) | — | |
| SCHEMBL5843075 | 0.61 | XDH (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7012041-B2 | Phenylpyridazinones | BAYER AG (DE) | 2006-03-14 | — | — | US | disclosed |
| US-20030119673-A1 | Phenylpyridazinones | LINKER KARL-HEINZ (DE) | 2003-06-26 | — | — | US | disclosed |
| US-6551963-B1 | For controlling unwanted vegetation | BAYER AKTIENGESELLSCHAFT (DE) | 2003-04-22 | — | — | US | disclosed |