⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16056817 | 0.69 | DGAT1 (0.32) | — | |
| SCHEMBL28667690 | 0.67 | — | — | |
| Trifluoroacetic Acid SCHEMBL31267506 | 0.63 | — | — | |
| SCHEMBL29964268 | 0.63 | — | — | |
| SCHEMBL28467446 | 0.62 | GAA (0.32) | — | |
| SCHEMBL21078730 | 0.62 | GAA (0.32) | — | |
| SCHEMBL21304073 | 0.62 | GAA (0.32) | — | |
| SCHEMBL23575974 | 0.62 | MEN1 (0.34) | — | |
| SCHEMBL29846811 | 0.61 | — | — | |
| SCHEMBL29183099 | 0.60 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024178190-A2 | METHODS AND COMPOSITIONS FOR PPO HERBICIDE TOLERANCE | MONSANTO TECHNOLOGY LLC (US) | 2024-08-29 | — | — | WO | disclosed |
| EP-4337017-A1 | HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS | Bayer Aktiengesellschaft (DE) | 2024-03-20 | — | — | EP | disclosed |
| WO-2022238194-A1 | HERBICIDE/SAFENER COMBINATION BASED ON SAFENERS FROM THE CLASS OF SUBSTITUTED [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACIDS AND THEIR SALTS | BAYER AKTIENGESELLSCHAFT (DE) | 2022-11-17 | — | — | WO | disclosed |