⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL141540 | 0.86 | GAA (0.34) | — | |
| SCHEMBL12998976 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL3256577 | 0.84 | — | — | |
| SCHEMBL28458818 | 0.76 | — | — | |
| SCHEMBL28808182 | 0.75 | GAA (0.31) | — | |
| SCHEMBL3382256 | 0.75 | — | — | |
| SCHEMBL28473005 | 0.74 | — | — | |
| Pyroxasulfone SCHEMBL3227744 | 0.74 | GAA (0.31) | — | |
| Pyroxasulfone SCHEMBL117036 | 0.74 | GAA (0.31) | — | |
| SCHEMBL13761075 | 0.74 | GAA (0.31) | — |
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-4156934-A1 | SELECTIVE HERBICIDES BASED ON SUBSTITUTED ISOXAZOLIN CARBOXAMIDES AND CLOQUINTOCET-MEXYL | Bayer Aktiengesellschaft (DE) | 2023-04-05 | — | — | EP | disclosed |
| EP-4003975-A1 | SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS | Bayer Aktiengesellschaft (DE) | 2022-06-01 | — | — | EP | disclosed |