⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6599845 | 0.92 | — | — | |
| SCHEMBL7044934 | 0.76 | — | — | |
| SCHEMBL6599487 | 0.74 | — | — | |
| SCHEMBL9574777 | 0.74 | — | — | |
| SCHEMBL7753386 | 0.74 | — | — | |
| SCHEMBL1829564 | 0.74 | — | — | |
| SCHEMBL14093961 | 0.74 | — | — | |
| SCHEMBL7430990 | 0.74 | — | — | |
| SCHEMBL7222163 | 0.74 | — | — | |
| SCHEMBL23586088 | 0.72 | SHBG (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1395565-A1 | HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES | Bayer CropScience AG (DE) | 2004-03-10 | — | — | EP | claimed |
| WO-2002096884-A2 | SUBSTITUTED BENZOYLKETONES AS HERBICIDAL AGENTS FOR USE AS PLANT TREATMENT AGENT | BAYER CROPSCIENCE AG (DE) | 2002-12-05 | — | — | WO | claimed |
| WO-2002094792-A1 | HERBICIDAL SUBSTITUTED BENZOYLPYRAZOLES | BAYER CROPSCIENCE AG (DE) | 2002-11-28 | — | — | WO | claimed |