⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5843527 | 1.00 | — | — | |
| Trichloroacetic Acid SCHEMBL28159296 | 0.76 | ALDH1A1 (0.50) | — | |
| SCHEMBL4866495 | 0.73 | — | — | |
| SCHEMBL4866503 | 0.73 | — | — | |
| SCHEMBL17468794 | 0.71 | — | — | |
| SCHEMBL1783136 | 0.71 | — | — | |
| SCHEMBL22322524 | 0.71 | — | — | |
| SCHEMBL1783135 | 0.71 | — | — | |
| SCHEMBL24928832 | 0.67 | — | — | |
| SCHEMBL10398731 | 0.67 | ALDH1A1 (0.37) | — |
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 6 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 |
| EP-0832072-B1 | PHENYLPYRIDAZINONES | BAYER CROPSCIENCE AG (DE) | 2003-09-24 | — | — | EP | 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 |
| EP-0832072-A1 | PHENYLPYRIDAZINONES | BAYER AG (DE) | 1998-04-01 | — | — | EP | disclosed |
| WO-1996039392-A1 | PHENYLPYRIDAZINONES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-12-12 | — | — | WO | disclosed |