⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2052155 | 0.82 | PABPC1 (0.32) | — | |
| SCHEMBL9844936 | 0.72 | KMT2A (0.31) | — | |
| SCHEMBL9899343 | 0.70 | MIF (0.44) | — | |
| SCHEMBL4466943 | 0.61 | DEPTOR (0.32) | — | |
| SCHEMBL5187887 | 0.61 | — | — | |
| SCHEMBL3624201 | 0.56 | — | — | |
| Toluene SCHEMBL451397 | 0.54 | — | — | |
| SCHEMBL18473184 | 0.52 | — | — | |
| SCHEMBL9598067 | 0.51 | — | — | |
| Tert-Butylbenzene SCHEMBL21925696 | 0.49 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1464642-B1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME | SDS BIOTECH CORP (JP) | 2007-08-29 | — | — | EP | disclosed |
| US-7192906-B2 | Substituted pyrazole derivatives, production process thereof, and herbicide compositions containing the derivatives | SDS BIOTECH K.K. (JP) | 2007-03-20 | — | — | US | disclosed |
| US-20050014649-A1 | Novel substituted pyrazole derivative, process for producing the same, and herbicidal composition containing the same | SDS BIOTECH K.K. (JP) | 2005-01-20 | — | — | US | disclosed |
| EP-1464642-A1 | NOVEL SUBSTITUTED PYRAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND HERBICIDAL COMPOSITION CONTAINING THE SAME | SDS Biotech K.K. (JP) | 2004-10-06 | — | — | EP | disclosed |
| EP-0421227-B1 | 1-Hydroxy-1,2,4-triazole derivatives and fungicides containing them and growth regulators | BASF AG (DE) | 1994-06-15 | — | — | EP | disclosed |
| EP-0435127-A2 | 3-Substituted pyridines | BASF Aktiengesellschaft (DE) | 1991-07-03 | — | — | EP | disclosed |
| EP-0421227-A2 | 1-Hydroxy-1,2,4-triazole derivatives and fungicides containing them and growth regulators | BASF Aktiengesellschaft (DE) | 1991-04-10 | — | — | EP | disclosed |