⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12068002 | 0.76 | — | — | |
| SCHEMBL7077560 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL8733232 | 0.74 | POLB (0.33) | — | |
| SCHEMBL11651640 | 0.74 | POLB (0.33) | — | |
| SCHEMBL4433673 | 0.73 | — | — | |
| SCHEMBL4610845 | 0.67 | CYP2D6 (0.33) | — | |
| SCHEMBL1494484 | 0.63 | — | — | |
| Hydrazine SCHEMBL16039959 | 0.63 | TP53 (0.35) | — | |
| SCHEMBL6249962 | 0.61 | TP53 (0.39) | — | |
| SCHEMBL316341 | 0.61 | TP53 (0.39) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050119246-A1 | 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-06-02 | — | — | US | disclosed |
| EP-1465871-A1 | PYRAZOLE DERIVATIVES FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR | Bayer Corporation (US) | 2004-10-13 | — | — | EP | disclosed |
| WO-2003057673-A1 | 1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-07-17 | — | — | WO | disclosed |