⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5514106 | 0.81 | — | — | |
| SCHEMBL22030739 | 0.76 | — | — | |
| SCHEMBL9570514 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL5517371 | 0.74 | — | — | |
| SCHEMBL13679286 | 0.74 | — | — | |
| SCHEMBL21086805 | 0.73 | — | — | |
| SCHEMBL28738768 | 0.73 | — | — | |
| SCHEMBL5511620 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL12872153 | 0.72 | LMNA (0.38) | — | |
| SCHEMBL365550 | 0.72 | LMNA (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4097087-A1 | [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS HERBICIDAL INGREDIENTS | Bayer Aktiengesellschaft (DE) | 2022-12-07 | — | — | EP | disclosed |
| WO-2021151976-A1 | [(1,4,5-TRISUBSTITUTED-1H-PYRAZOL-3-YL)SULFANYL]ACETIC ACID DERIVATIVES, SALTS THEREOF, AND USE THEREOF AS HERBICIDAL INGREDIENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-08-05 | — | — | WO | disclosed |
| US-20010031865-A1 | Substituted 3-phenyluracils | KLINTZ RALF (DE) | 2001-10-18 | — | — | US | disclosed |
| US-6239074-B1 | HERBICIDES, INSECTICIDES | BASF AKTIENGESELLSCHAFT (DE) | 2001-05-29 | — | — | US | disclosed |