⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30497399 | 1.00 | — | — | |
| SCHEMBL30497404 | 1.00 | — | — | |
| SCHEMBL30497308 | 0.84 | — | — | |
| SCHEMBL2032083 | 0.84 | — | — | |
| SCHEMBL17210716 | 0.79 | SYK (0.30) | — | |
| SCHEMBL1672871 | 0.77 | SYK (0.31) | — | |
| SCHEMBL24630408 | 0.76 | — | — | |
| SCHEMBL18656078 | 0.76 | — | — | |
| SCHEMBL524142 | 0.76 | — | — | |
| SCHEMBL523028 | 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101896479-B | Process for the preparation of pyrido [2,1-a] isoquinoline derivatives | HOFFMANN LA ROCHE | 2013-08-07 | — | — | CN | claimed |
| CN-101511830-B | Process for the preparation of pyrido[2,1-a]isoquinoline derivatives by catalytic asymmetric hydrogenation of an enamine | HOFFMANN LA ROCHE | 2013-07-24 | — | — | CN | claimed |
| EP-1638970-B1 | PYRID (2, 1-A) - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-11-24 | — | — | EP | claimed |
| CN-101896479-A | Process for the preparation of pyrido [2,1-a] isoquinoline derivatives | HOFFMANN LA ROCHE | 2010-11-24 | — | — | CN | claimed |
| CN-101516880-A | Process for the preparation of pyrido [2, 1-a ] isoquinoline derivatives comprising optical resolution of enamines | HOFFMANN LA ROCHE (CH) | 2009-08-26 | — | — | CN | claimed |
| CN-101511830-A | Process for the preparation of pyrido[2,1-a]isoquinoline derivatives by catalytic asymmetric hydrogenation of an enamine | HOFFMANN LA ROCHE (CH) | 2009-08-19 | — | — | CN | claimed |
| US-7122555-B2 | Pyrido [2,1-a] isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-17 | — | — | US | claimed |
| EP-1638970-A1 | PYRID (2, 1-A) - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2006-03-29 | — | — | EP | claimed |
| WO-2005000848-A1 | PYRIDO` 2, 1-A - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-01-06 | — | — | WO | claimed |
| US-20040259903-A1 | Pyrido [2,1-a] isoquinoline derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2004-12-23 | — | — | US | claimed |
| CN-101896479-B | Process for the preparation of pyrido [2,1-a] isoquinoline derivatives | HOFFMANN LA ROCHE | 2013-08-07 | — | — | CN | disclosed |
| CN-101511830-B | Process for the preparation of pyrido[2,1-a]isoquinoline derivatives by catalytic asymmetric hydrogenation of an enamine | HOFFMANN LA ROCHE | 2013-07-24 | — | — | CN | disclosed |
| CN-101528721-B | Process for the preparation of (s)-4-fluoromethyl-dihydro-furan-2-one | HOFFMANN LA ROCHE | 2013-01-02 | — | — | CN | disclosed |
| EP-2485314-A1 | Nonaqueous electrolytic solution and nonaqueous electrolyte secondary cell | Mitsubishi Chemical Corporation (JP) | 2012-08-08 | — | — | EP | disclosed |
| CN-101516880-B | Process for the preparation of pyrido [2,1-a ] isoquinoline derivatives comprising optical resolution of enamines | HOFFMANN LA ROCHE | 2012-06-20 | — | — | CN | disclosed |
| US-7122555-B2 | Pyrido [2,1-a] isoquinoline derivatives | HOFFMANN-LA ROCHE INC. (US) | 2006-10-17 | — | — | US | disclosed |
| CN-1809568-A | Pyrid (2, 1-a) - isoquinoline derivatives as dpp-iv inhibitors | HOFFMANN LA ROCHE (CH) | 2006-07-26 | — | — | CN | 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 |