⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4029052 | 0.69 | — | — | |
| SCHEMBL7301173 | 0.69 | — | — | |
| SCHEMBL2874226 | 0.69 | — | — | |
| SCHEMBL1032398 | 0.67 | — | — | |
| SCHEMBL10976920 | 0.66 | XDH (0.44) | — | |
| SCHEMBL4940927 | 0.65 | — | — | |
| SCHEMBL278146 | 0.65 | — | — | |
| SCHEMBL7469530 | 0.65 | — | — | |
| SCHEMBL1545760 | 0.65 | — | — | |
| SCHEMBL6202808 | 0.64 | HRH3 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732564-A1 | BIARYL SUBSTITUTED PYRAZINONES AS SODIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2006-12-20 | — | — | EP | claimed |
| WO-2005097136-A1 | BIARYL SUBSTITUTED PYRAZINONES AS SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2005-10-20 | — | — | WO | claimed |
| US-8329926-B2 | Antiviral compounds | GILEAD SCIENCES, INC. (US) | 2012-12-11 | — | — | US | disclosed |
| US-20090012037-A1 | Antiviral Compounds | GILEAD SCIENCE, INC. (US) | 2009-01-08 | — | — | US | disclosed |
| EP-1732564-A1 | BIARYL SUBSTITUTED PYRAZINONES AS SODIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005097136-A1 | BIARYL SUBSTITUTED PYRAZINONES AS SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2005-10-20 | — | — | WO | disclosed |