⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19672971 | 0.92 | — | — | |
| SCHEMBL21443848 | 0.72 | — | — | |
| SCHEMBL22317586 | 0.67 | — | — | |
| SCHEMBL13057850 | 0.66 | INMT (0.31) | — | |
| SCHEMBL8305259 | 0.64 | — | — | |
| SCHEMBL20693039 | 0.62 | BRD4 (0.37) | — | |
| SCHEMBL13100923 | 0.60 | — | — | |
| SCHEMBL17475198 | 0.59 | — | — | |
| SCHEMBL61343 | 0.56 | — | — | |
| SCHEMBL444154 | 0.56 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7875644-B2 | tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas | MERCK PATENT GMBH (DE) | 2011-01-25 | — | — | US | claimed |
| US-20080249095-A1 | 1-Acyldihydropyrazole Derivatives | MERCK PATENT GESELLSCHAFT (DE) | 2008-10-09 | — | — | US | claimed |
| EP-1917248-A1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | Merck Patent GmbH (DE) | 2008-05-07 | — | — | EP | claimed |
| WO-2007019933-A1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-22 | — | — | WO | claimed |
| EP-3304058-B1 | REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY | HARVARD COLLEGE (US) | 2023-08-02 | — | — | EP | disclosed |
| US-7875644-B2 | tyrosine kinase inhibitors, in particular Met kinase; antitumor agents;1-(Benzo-1,2,5-thiadiazol-5-ylmethylcarbonyl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazole; leukemia, carcinomas | MERCK PATENT GMBH (DE) | 2011-01-25 | — | — | US | disclosed |
| US-20080249095-A1 | 1-Acyldihydropyrazole Derivatives | MERCK PATENT GESELLSCHAFT (DE) | 2008-10-09 | — | — | US | disclosed |
| US-20080176854-A1 | Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments | LABORATORIOS DEL DR. ESTEVE S.A (ES) | 2008-07-24 | — | — | US | disclosed |
| US-20080176854-A1 | Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments | LABORATORIOS DEL DR. ESTEVE S.A (ES) | 2008-07-24 | — | — | US | disclosed |
| EP-1917248-A1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | Merck Patent GmbH (DE) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007019933-A1 | 1-ACYLDIHYDROPYRAZOL DERIVATIVES | MERCK PATENT GMBH (DE) | 2007-02-22 | — | — | WO | disclosed |