⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8085814 | 0.79 | CYP2C19 (0.32) | — | |
| SCHEMBL9196123 | 0.74 | TSHR (0.30) | — | |
| SCHEMBL3455744 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL4825850 | 0.69 | — | — | |
| SCHEMBL3289692 | 0.64 | — | — | |
| SCHEMBL542223 | 0.64 | — | — | |
| SCHEMBL2645927 | 0.64 | — | — | |
| SCHEMBL2689810 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL17288069 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL28559167 | 0.62 | TSHR (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8207156-B2 | Substituted pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2012-06-26 | — | — | US | disclosed |
| EP-1946777-A1 | Substituted pyrazoline for preventing weight gain | Laboratorios del Dr. Esteve S.A. (ES) | 2008-07-23 | — | — | EP | disclosed |
| EP-1910302-A1 | CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS | Laboratorios del Dr. Esteve S.A. (ES) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007009687-A1 | CARBONYL SUBSTITUTED PYRAZOLINE COMPOUNDS, THEIR PREPARATION AND USE AS CB1 RECEPTOR MODULATORS | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-25 | — | — | WO | disclosed |
| US-20070021398-A1 | Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-01-25 | — | — | US | disclosed |