⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24407581 | 0.82 | — | — | |
| SCHEMBL2474863 | 0.82 | — | — | |
| SCHEMBL19058372 | 0.80 | — | — | |
| SCHEMBL21939582 | 0.73 | — | — | |
| SCHEMBL18513472 | 0.69 | — | — | |
| SCHEMBL23048336 | 0.68 | — | — | |
| SCHEMBL22571558 | 0.67 | — | — | |
| SCHEMBL10057739 | 0.67 | — | — | |
| SCHEMBL23971783 | 0.67 | — | — | |
| SCHEMBL23447203 | 0.66 | ALDH1A1 (0.38) | — |
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-4065564-B1 | [ (1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL) OXY ] ACETIC ACID DERIVATIVES AND SALTS THEREOF, USEFUL OR CULTIVATING AGENTS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS SAFENERS | BAYER AG (DE) | 2023-07-26 | — | — | EP | disclosed |
| WO-2021105101-A1 | [(1,5-DIPHENYL-1H-1,2,4-TRIAZOL-3-YL)OXY]ACETIC ACID DERIVATIVES AND SALTS THEREOF, CROP PROTECTION COMPOSITIONS COMPRISING THEM, METHODS FOR PRODUCING THEM AND USE THEREOF AS SAFENERS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-06-03 | — | — | WO | disclosed |