⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL421883 | 1.00 | — | — | |
| SCHEMBL4365023 | 1.00 | — | — | |
| SCHEMBL2031953 | 0.84 | — | — | |
| SCHEMBL12159707 | 0.78 | — | — | |
| SCHEMBL14562801 | 0.78 | — | — | |
| SCHEMBL963415 | 0.78 | — | — | |
| SCHEMBL9616911 | 0.76 | — | — | |
| SCHEMBL18557968 | 0.76 | — | — | |
| SCHEMBL1333585 | 0.76 | — | — | |
| SCHEMBL8226932 | 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2069343-A2 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. Hoffmann-Roche AG (CH) | 2009-06-17 | — | — | EP | claimed |
| WO-2008031750-A2 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | claimed |
| EP-2485314-A1 | Nonaqueous electrolytic solution and nonaqueous electrolyte secondary cell | Mitsubishi Chemical Corporation (JP) | 2012-08-08 | — | — | EP | disclosed |
| US-8178246-B2 | Nonaqueous electrolyte solution, nonaqueous electrolyte secondary cell, and carbonate compounds | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-05-15 | — | — | US | disclosed |
| US-8178246-B2 | Nonaqueous electrolyte solution, nonaqueous electrolyte secondary cell, and carbonate compounds | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-05-15 | — | — | US | disclosed |
| US-8178246-B2 | Nonaqueous electrolyte solution, nonaqueous electrolyte secondary cell, and carbonate compounds | MITSUBISHI CHEMICAL CORPORATION (JP) | 2012-05-15 | — | — | US | disclosed |
| EP-2066667-B1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| EP-2339684-A2 | Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds | Mitsubishi Chemical Corporation (JP) | 2011-06-29 | — | — | EP | disclosed |
| EP-1638970-B1 | PYRID (2, 1-A) - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-11-24 | — | — | EP | disclosed |
| US-7619101-B2 | Process for the preparation of (S)-4-fluoromethyl-dihydro-furan-2-one useful in the preparation of the DPP-IV inhibitor (S)-1 ((2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7, 11b-hexahydro-2H-pyrido[2,1-a] isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | HOFFMAN-LA ROCHE INC. (US) | 2009-11-17 | — | — | US | disclosed |
| US-20090253048-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY CELL, AND CARBONATE COMPOUNDS | MITSUBISHI CHEMICAL CORPORATION (JP) | 2009-10-08 | — | — | US | disclosed |
| EP-1893595-A1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. Hoffmann-Roche AG (CH) | 2008-03-05 | — | — | EP | disclosed |
| EP-1890357-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND CARBONATE COMPOUND | Mitsubishi Chemical Corporation (JP) | 2008-02-20 | — | — | EP | disclosed |
| EP-1890357-A1 | NONAQUEOUS ELECTROLYTE SOLUTION, NONAQUEOUS ELECTROLYTE SECONDARY BATTERY AND CARBONATE COMPOUND | Mitsubishi Chemical Corporation (JP) | 2008-02-20 | — | — | EP | disclosed |
| US-20060270853-A1 | Process for the preparation of (S)-4-fluoromethyl-dihydro-furan-2-one useful in the preparation of the DPP-IV inhibitor (S)-1 ((2S,3S,11bS)-2-amino-9,10-dimethoxy-1,3,4,6,7, 11b-hexahydro-2h-pyrido[2,1-a] isoquinolin-3-yl)-4-fluoromethyl-pyrrolidin-2-one | HOFFMANN-LA ROCHE INC. | 2006-11-30 | — | — | US | disclosed |
| WO-2006125728-A1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-30 | — | — | WO | disclosed |
| US-7122555-B2 | Pyrido [2,1-a] isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-17 | — | — | US | disclosed |
| EP-1638970-A1 | PYRID (2, 1-A) - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-29 | — | — | EP | disclosed |
| WO-2005000848-A1 | PYRIDO` 2, 1-A - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-06 | — | — | WO | disclosed |
| US-20040259903-A1 | Pyrido [2,1-a] isoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-23 | — | — | US | disclosed |