⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL505116 | 1.00 | — | — | |
| SCHEMBL25296559 | 0.81 | AHR (0.42) | — | |
| SCHEMBL30510018 | 0.81 | AHR (0.42) | — | |
| SCHEMBL219661 | 0.79 | — | — | |
| SCHEMBL29638257 | 0.79 | — | — | |
| SCHEMBL30411804 | 0.75 | — | — | |
| SCHEMBL29490721 | 0.75 | — | — | |
| SCHEMBL529658 | 0.75 | — | — | |
| SCHEMBL2840953 | 0.75 | — | — | |
| SCHEMBL7402724 | 0.72 | AHR (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3999503-A1 | SUBSTITUTED PYRIDAZINONES AS HERBICIDES | Syngenta Crop Protection AG (CH) | 2022-05-25 | — | — | EP | disclosed |
| EP-3999494-A2 | SUBSTITUTED PYRIDAZINONES AS HERBICIDES | Syngenta Crop Protection AG (CH) | 2022-05-25 | — | — | EP | disclosed |