⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5572445 | 0.96 | — | — | |
| SCHEMBL9188910 | 0.92 | KDM4E (0.30) | — | |
| SCHEMBL8554549 | 0.92 | — | — | |
| SCHEMBL9730109 | 0.92 | KDM4E (0.30) | — | |
| Maleic Acid SCHEMBL28461578 | 0.74 | TSHR (0.45) | — | |
| SCHEMBL28464454 | 0.69 | CA1 (0.40) | — | |
| SCHEMBL26931 | 0.69 | CA1 (0.40) | — | |
| SCHEMBL852413 | 0.65 | KDM4E (0.37) | — | |
| SCHEMBL11764902 | 0.65 | KDM4E (0.37) | — | |
| SCHEMBL28456561 | 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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-61130333-A | — | — | None | — | — | JP | disclosed |
| US-6232271-B1 | 1-Methyl-5-alkylsulfonyl-, 1-methyl-5-alkylsulfinyl- and 1-methyl-5-alkylthio- substituted pyrazolylpyrazoles, processes for their preparation and their use as herbicides | HOECHST SCHERING AGREVO GMBH (DE) | 2001-05-15 | — | — | US | disclosed |
| EP-0663913-B1 | NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1998-07-29 | — | — | EP | disclosed |
| US-5580986-A | HERBICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1996-12-03 | — | — | US | disclosed |
| EP-0663913-A1 | NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | Hoechst Schering AgrEvo GmbH (DE) | 1995-07-26 | — | — | EP | disclosed |
| WO-1994008999-A1 | NEW SUBSTITUTED PYRAZOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-04-28 | — | — | WO | disclosed |
| US-4845089-A | PESTICIDES, AGRICULTURE | BAYER AKTIENGESELLSCHAFT (DE) | 1989-07-04 | — | — | US | disclosed |
| JP-S61130333-A | EPOXY RESIN CURE ACCELERATOR | OOUCHI SHINKO KAGAKU KOGYO KK | 1986-06-18 | — | — | JP | disclosed |
| US-4163846-A | HERBICIDES | FISONS LIMITED (GB) | 1979-08-07 | — | — | US | disclosed |