⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14892918 | 0.78 | — | — | |
| SCHEMBL28195767 | 0.70 | — | — | |
| SCHEMBL12194379 | 0.65 | TSHR (0.41) | — | |
| SCHEMBL21853414 | 0.65 | NCOA1 (0.35) | — | |
| SCHEMBL15564067 | 0.58 | — | — | |
| SCHEMBL19347197 | 0.56 | — | — | |
| SCHEMBL1928370 | 0.56 | — | — | |
| SCHEMBL166882 | 0.56 | — | — | |
| SCHEMBL23663105 | 0.54 | ALDH1A1 (0.45) | — | |
| SCHEMBL4621674 | 0.53 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2771327-B1 | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2016-11-16 | — | — | EP | claimed |
| EP-2771327-A1 | NOVEL PYRAZINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-09-03 | — | — | EP | claimed |
| WO-2013060751-A1 | NOVEL PYRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-02 | — | — | WO | claimed |
| US-20130109665-A1 | NOVEL PYRAZINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-02 | — | — | US | claimed |
| EP-2771327-B1 | NOVEL PYRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2016-11-16 | — | — | EP | disclosed |
| US-9403808-B2 | Pyrazine derivatives | HOFFMANN-LA ROCHE INC. (US) | 2016-08-02 | — | — | US | disclosed |
| EP-2771327-A1 | NOVEL PYRAZINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2014-09-03 | — | — | EP | disclosed |
| US-20130109665-A1 | NOVEL PYRAZINE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-05-02 | — | — | US | disclosed |
| WO-2013060751-A1 | NOVEL PYRAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-02 | — | — | WO | disclosed |