⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11139674 | 0.89 | SSTR4 (0.39) | — | |
| SCHEMBL2493251 | 0.79 | — | — | |
| SCHEMBL2704927 | 0.79 | — | — | |
| SCHEMBL215230 | 0.79 | — | — | |
| SCHEMBL18373837 | 0.77 | — | — | |
| SCHEMBL24482452 | 0.76 | SIGMAR1 (0.32) | — | |
| SCHEMBL26101640 | 0.73 | CYP1A2 (0.34) | — | |
| SCHEMBL29222437 | 0.71 | FDPS (0.39) | — | |
| SCHEMBL458137 | 0.70 | — | — | |
| SCHEMBL17818897 | 0.70 | MEN1 (0.33) | — |
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-7629346-B2 | Pyrazinecarboxamide derivatives as CB1 antagonists | HOFFMANN-LA ROCHE INC. (US) | 2009-12-08 | — | — | US | disclosed |
| EP-2035394-B1 | 2-PYRAZINECARBOXAMIDE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-08-19 | — | — | EP | disclosed |
| EP-2035394-A1 | 2-PYRAZINECARBOXAMIDE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-03-18 | — | — | EP | disclosed |
| WO-2007147746-A1 | 2-PYRAZINECARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-27 | — | — | WO | disclosed |
| US-20070293509-A1 | Pyrazinecarboxamide derivatives as CB1 antagonists | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-20 | — | — | US | disclosed |