⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30042076 | 0.92 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL1032996 | 0.92 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL645624 | 0.88 | NR3C1 (0.31) | — | |
| SCHEMBL1037206 | 0.83 | FPR1 (0.32) | — | |
| SCHEMBL4319920 | 0.83 | — | — | |
| SCHEMBL4319925 | 0.83 | — | — | |
| SCHEMBL1738355 | 0.82 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL3867685 | 0.82 | ALDH1A1 (0.35) | — | |
| SCHEMBL2020018 | 0.81 | LMNA (0.30) | — | |
| SCHEMBL29002975 | 0.81 | SMN1; SMN2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110160062-A1 | PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2011-06-30 | — | — | US | claimed |
| EP-2276743-A1 | PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2011-01-26 | — | — | EP | claimed |
| WO-2009142318-A1 | PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2009-11-26 | — | — | WO | claimed |
| US-8466089-B2 | Pyrazole compounds, process for their production and herbicides containing them | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2013-06-18 | — | — | US | disclosed |
| US-20110160062-A1 | PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2011-06-30 | — | — | US | disclosed |
| EP-2276743-A1 | PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009142318-A1 | PYRAZOLE COMPOUNDS, PROCESS FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 2009-11-26 | — | — | WO | disclosed |