⚠ 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 SCHEMBL1236436 | 0.97 | — | — | |
| Pyrazole SCHEMBL28302306 | 0.97 | — | — | |
| Pyrazole SCHEMBL7671561 | 0.93 | — | — | |
| Pyrazole SCHEMBL30854861 | 0.93 | — | — | |
| Pyrazole SCHEMBL5664483 | 0.93 | — | — | |
| Pyrazole SCHEMBL1384 | 0.93 | — | — | |
| Pyrazole SCHEMBL30626480 | 0.93 | — | — | |
| Pyrazole SCHEMBL18227431 | 0.90 | — | — | |
| Pyrazole SCHEMBL27504584 | 0.90 | — | — | |
| Pyrazole SCHEMBL23295201 | 0.90 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102746309-A | 1-N-ethyl-4-N-2'-substituted acylhydrazine-1H-pyrazol [3, 4-d] miazines derivative as well as preparation method and application thereof | UNIV SICHUAN | 2012-10-24 | — | — | CN | claimed |
| US-10351530-B2 | Arylcyclohexyl pyrazoles as NRF2 regulators | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2019-07-16 | — | — | US | disclosed |
| CN-109438353-A | 3- is together with dinitro methyl-5-nitro pyrazoles hydrazonium salt compound | 西安近代化学研究所 | 2019-03-08 | — | — | CN | disclosed |
| US-20180282283-A1 | ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS | ASTEX THERAPEUTICS LIMITED (GB) | 2018-10-04 | — | — | US | disclosed |
| EP-3371167-A1 | ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS | GlaxoSmithKline Intellectual Property Development Limited (GB) | 2018-09-12 | — | — | EP | disclosed |
| WO-2017060855-A1 | ARYLCYCLOHEXYL PYRAZOLES AS NRF2 REGULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) | 2017-04-13 | — | — | WO | disclosed |
| CN-102746309-B | 1-N-ethyl-4-N-2'-substituted acylhydrazine-1H-pyrazol [3, 4-d] miazines derivative as well as preparation method and application thereof | UNIV SICHUAN | 2013-06-05 | — | — | CN | disclosed |
| CN-102746309-A | 1-N-ethyl-4-N-2'-substituted acylhydrazine-1H-pyrazol [3, 4-d] miazines derivative as well as preparation method and application thereof | UNIV SICHUAN | 2012-10-24 | — | — | CN | disclosed |
| EP-2152712-B1 | AMINO-HETEROCYCLIC COMPOUNDS | PFIZER (US) | 2012-01-11 | — | — | EP | disclosed |
| US-7964607-B2 | Pyrazolo[3,4-d]pyrimidine compounds | PFIZER INC. (US) | 2011-06-21 | — | — | US | disclosed |
| US-20090030003-A1 | AMINO-HETEROCYCLIC COMPOUNDS | PFIZER INC | 2009-01-29 | — | — | US | disclosed |
| US-5556986-A | CHEMICAL INTERMEDIATES FOR PYRAZOLYLPYRAZOLES AS HERBICIDES | HOECHST SCHERING AGREVO GMBH (DE) | 1996-09-17 | — | — | US | disclosed |