⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4474178 | 0.78 | — | — | |
| SCHEMBL28707499 | 0.78 | CYP2D6 (0.61) | — | |
| SCHEMBL2739998 | 0.78 | CYP2D6 (0.61) | — | |
| SCHEMBL18123880 | 0.78 | — | — | |
| SCHEMBL18305943 | 0.75 | — | — | |
| SCHEMBL1494486 | 0.75 | — | — | |
| SCHEMBL842561 | 0.75 | — | — | |
| SCHEMBL28709191 | 0.74 | CYP2D6 (0.42) | — | |
| Hydrochloric Acid SCHEMBL15968265 | 0.73 | — | — | |
| SCHEMBL22279658 | 0.73 | — | — |
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 |