⚠ 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 | |
|---|---|---|---|---|
| Pyrazole SCHEMBL1129000 | 0.86 | — | — | |
| Propionamide SCHEMBL9349954 | 0.85 | ALOX15 (0.30) | — | |
| Pyrazole SCHEMBL28727019 | 0.84 | — | — | |
| Pyrazole SCHEMBL440249 | 0.84 | — | — | |
| Pyrazole SCHEMBL6009803 | 0.82 | — | — | |
| Pyrazole SCHEMBL28095827 | 0.82 | — | — | |
| Pyrazole SCHEMBL1724037 | 0.81 | — | — | |
| Oxamate SCHEMBL30882809 | 0.80 | LDHA (0.41) | — | |
| Pyrazole SCHEMBL27846756 | 0.79 | — | — | |
| Pyrazole SCHEMBL5064075 | 0.79 | HCAR2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-7304747-A | — | — | None | — | — | JP | disclosed |
| CN-101448397-B | Selective benzylamine derivatives and their use as cholesteryl ester transfer protein inhibitors | REDDYS LAB LTD DR | 2013-04-24 | — | — | CN | disclosed |
| CN-101448397-A | Selective benzylamine derivatives and their use as cholesteryl ester transfer protein inhibitors | REDDY US THERAPEUTICS INC (US) | 2009-06-03 | — | — | CN | disclosed |
| US-5998334-A | Pyrazole compounds, processes for their production and herbicides containing them | ISHIHARA SANGYO KAISHA LTD. (JP) | 1999-12-07 | — | — | US | disclosed |
| EP-0900205-A1 | PYRAZOLE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA, LTD. (JP) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997041106-A1 | PYRAZOLE COMPOUNDS, PROCESSES FOR THEIR PRODUCTION AND HERBICIDES CONTAINING THEM | ISHIHARA SANGYO KAISHA LTD. (JP) | 1997-11-06 | — | — | WO | disclosed |
| JP-H07304747-A | 3,5-DICHLORO-4-CYANO-1-METHYLPYRAZOLE AND PRODUCTION THEREOF | NISSAN CHEM IND LTD | 1995-11-21 | — | — | JP | disclosed |