⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17614233 | 0.79 | MEN1 (0.50) | — | |
| SCHEMBL19484935 | 0.73 | MEN1 (0.43) | — | |
| SCHEMBL1276388 | 0.69 | MEN1 (1.00) | — | |
| SCHEMBL11733377 | 0.69 | CA12 (0.31) | — | |
| SCHEMBL11733366 | 0.69 | CA12 (0.31) | — | |
| SCHEMBL14489933 | 0.68 | MEN1 (0.39) | — | |
| SCHEMBL2601892 | 0.67 | — | — | |
| SCHEMBL583850 | 0.67 | — | — | |
| SCHEMBL14489937 | 0.65 | MEN1 (0.48) | — | |
| SCHEMBL80295 | 0.65 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652372-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-07-29 | — | — | US | disclosed |
| US-5541337-A | HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1996-07-30 | — | — | US | disclosed |
| EP-0477646-B1 | Substituted 5-alkoxy-1,2,4-triazol-3-(thi)ones | BAYER AG (DE) | 1995-03-01 | — | — | EP | disclosed |
| US-5356865-A | Herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1994-10-18 | — | — | US | disclosed |
| EP-0477646-A1 | Substituted 5-alkoxy-1,2,4-triazol-3-(thi)ones | BAYER AG (DE) | 1992-04-01 | — | — | EP | disclosed |