⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL587542 | 0.83 | TP53 (0.32) | — | |
| SCHEMBL588649 | 0.83 | POLB (0.32) | — | |
| SCHEMBL587955 | 0.75 | — | — | |
| SCHEMBL6482844 | 0.73 | POLB (0.32) | — | |
| SCHEMBL6480894 | 0.73 | MAPT (0.36) | — | |
| SCHEMBL6480969 | 0.72 | POLB (0.33) | — | |
| SCHEMBL587801 | 0.72 | MAPK1 (0.35) | — | |
| SCHEMBL1035595 | 0.69 | NR3C1 (0.34) | — | |
| SCHEMBL6489423 | 0.68 | — | — | |
| SCHEMBL12056711 | 0.67 | ALKBH1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081925-B1 | Benzoylpyrazoles, their use as herbicides, and intermediates | BAYER CROPSCIENCE AG (DE) | 2012-02-15 | — | — | EP | disclosed |
| US-8084398-B2 | Benzoylpyrazoles and herbicide | BAYER CROPSCIENCE AG (DE) | 2011-12-27 | — | — | US | disclosed |
| US-20100094023-A1 | BENZOYLPYRAZOLES AND HERBICIDE | BAYER CROPSCIENCE AG (DE) | 2010-04-15 | — | — | US | disclosed |
| EP-2081925-A1 | BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES | Bayer CropScience AG (DE) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008043456-A1 | BENZOYLPYRAZOLES, THEIR USE AS AS HERBICIDES, AND INTERMEDIATES | BAYER CROPSCIENCE AG (DE) | 2008-04-17 | — | — | WO | disclosed |