⚠ 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 | |
|---|---|---|---|---|
| Pyrazine SCHEMBL5179 | 0.82 | — | — | |
| Pyrazine SCHEMBL1226089 | 0.82 | TSHR (0.50) | — | |
| SCHEMBL31437084 | 0.82 | TSHR (0.50) | — | |
| Pyrazine SCHEMBL27612077 | 0.78 | — | — | |
| Pyrazine SCHEMBL28205589 | 0.78 | — | — | |
| Pyrazine SCHEMBL11731991 | 0.78 | — | — | |
| Pyrazine SCHEMBL4235941 | 0.78 | — | — | |
| Pyrazine SCHEMBL8832091 | 0.78 | — | — | |
| Pyridine SCHEMBL547127 | 0.77 | — | — | |
| Pyrazine SCHEMBL6268124 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106316966-A | Preparation method of medical intermediate N-(2-methylpyrazine)benzylamine phosphate compound | 董运勤 | 2017-01-11 | — | — | CN | claimed |
| CN-106316966-A | Preparation method of medical intermediate N-(2-methylpyrazine)benzylamine phosphate compound | 董运勤 | 2017-01-11 | — | — | CN | disclosed |
| CN-100439361-C | Substituted azetidinone compounds, formulations and uses thereof for the treatment of hypercholesterolemia | SCHERING CORP (US) | 2008-12-03 | — | — | CN | disclosed |
| CN-1756752-A | Substituted 2-azetidinone compounds, formulations thereof and their use to treat hypercholesterolaemia | SCHERING CORP (US) | 2006-04-05 | — | — | CN | disclosed |
| CN-1756756-A | Substituted azetidinone compounds, formulations and uses thereof for the treatment of hypercholesterolemia | SCHERING CORP (US) | 2006-04-05 | — | — | CN | disclosed |
| CN-1756755-A | Substituted azetidinone compounds, formulations and uses thereof for the treatment of hypercholesterolemia | SCHERING CORP (US) | 2006-04-05 | — | — | CN | disclosed |