⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28001962 | 0.75 | — | — | |
| SCHEMBL7190881 | 0.71 | — | — | |
| SCHEMBL30026924 | 0.68 | — | — | |
| SCHEMBL29581826 | 0.68 | — | — | |
| SCHEMBL10792436 | 0.65 | — | — | |
| SCHEMBL4840671 | 0.64 | CYP3A4 (0.31) | — | |
| SCHEMBL8594303 | 0.61 | TP53 (0.34) | — | |
| SCHEMBL11662836 | 0.58 | — | — | |
| SCHEMBL4853981 | 0.58 | — | — | |
| SCHEMBL7974834 | 0.58 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110520414-B | Substituted N- (-1, 3, 4-oxadiazol-2-yl) aryl carboxamides and their use as herbicides | 拜耳作物科学股份公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-117084250-A | Safened herbicidal compositions containing halauxfen and methods of use thereof in brassica species | 美国陶氏益农公司 | 2023-11-21 | — | — | CN | disclosed |