⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6172192 | 0.87 | — | — | |
| SCHEMBL18271781 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL28248434 | 0.81 | TSHR (0.39) | — | |
| SCHEMBL28015092 | 0.80 | — | — | |
| SCHEMBL1132059 | 0.80 | — | — | |
| SCHEMBL10609023 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL10609026 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL10609028 | 0.78 | TSHR (0.40) | — | |
| SCHEMBL20232280 | 0.78 | ALDH1A1 (0.43) | — | |
| SCHEMBL1928678 | 0.75 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1638970-B1 | PYRID (2, 1-A) - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-11-24 | — | — | EP | disclosed |
| CN-100374439-C | Pyrido' 2, 1-A-isoquinoline derivatives as DPP-IV inhibitors | HOFFMANN LA ROCHE CO LTD (CH) | 2008-03-12 | — | — | 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 |
| US-4041165-A | TREATING DELAYED HYPERSENSITIVITY | RICHARDSON-MERRELL INC. (US) | 1977-08-09 | — | — | US | disclosed |
| US-3947593-A | ANTIVIRUL AGENTS | RICHARDSON-MERRELL INC. (US) | 1976-03-30 | — | — | US | disclosed |
| US-3937833-A | DELAYED HYPERSENSITIVITY | RICHARDSON-MERRELL INC. (US) | 1976-02-10 | — | — | US | disclosed |