⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6978102 | 1.00 | — | — | |
| SCHEMBL6970023 | 0.87 | POLB (0.31) | — | |
| SCHEMBL8434475 | 0.82 | RXRA (0.31) | — | |
| SCHEMBL8110416 | 0.81 | RXRA (0.31) | — | |
| SCHEMBL8101901 | 0.81 | KMT2A (0.40) | — | |
| SCHEMBL6976485 | 0.81 | — | — | |
| SCHEMBL8606813 | 0.76 | — | — | |
| SCHEMBL6971724 | 0.76 | — | — | |
| SCHEMBL6914082 | 0.75 | — | — | |
| SCHEMBL8605879 | 0.75 | PTGS1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0782575-B1 | SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTION | BAYER CROPSCIENCE GMBH (DE) | 2003-01-22 | — | — | EP | disclosed |
| US-6028034-A | FOR CONTROLLING WEEDS, UNWANTED PLANTS | HOECHST SCHERING AGREVO GMBH (DE) | 2000-02-22 | — | — | US | disclosed |
| US-5840912-A | Substituted pyrazolyl-pyrazole derivatives, and their use as agents with herbicidal action | HOECHST SCHERING AGREVO GMBH (DE) | 1998-11-24 | — | — | US | disclosed |
| EP-0782575-A1 | SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTION | Hoechst Schering AgrEvo GmbH (DE) | 1997-07-09 | — | — | EP | disclosed |
| WO-1996009303-A1 | SUBSTITUTED PYRAZOLYL-PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS AGENTS WITH HERBICIDAL ACTION | HOECHST SCHERING AGREVO GMBH (DE) | 1996-03-28 | — | — | WO | disclosed |