⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887222 | 0.96 | ADH1A (0.32) | — | |
| SCHEMBL823159 | 0.96 | ADH1A (0.32) | — | |
| SCHEMBL887195 | 0.96 | ADH1A (0.32) | — | |
| SCHEMBL4848 | 0.96 | — | — | |
| Hydrochloric Acid SCHEMBL529771 | 0.92 | — | — | |
| SCHEMBL5118751 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL529536 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL15129546 | 0.92 | — | — | |
| SCHEMBL25423954 | 0.88 | — | — | |
| SCHEMBL22657466 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2271632-B1 | 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS | HOFFMANN LA ROCHE (CH) | 2013-04-17 | — | — | EP | disclosed |
| US-8088920-B2 | 3-trifluoromethyl-pyrazine-2-carboxylic acid amide derivatives as HDL-cholesterol raising agents | HOFFMANN-LA ROCHE INC. (US) | 2012-01-03 | — | — | US | disclosed |
| EP-2271632-A1 | 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS | F. Hoffmann-La Roche AG (CH) | 2011-01-12 | — | — | EP | disclosed |
| WO-2009121741-A1 | 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-10-08 | — | — | WO | disclosed |
| US-20090247550-A1 | 3-TRIFLUOROMETHYL-PYRAZINE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS HDL-CHOLESTEROL RAISING AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-10-01 | — | — | US | disclosed |