⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1928677 | 1.00 | — | — | |
| SCHEMBL3381759 | 0.75 | — | — | |
| SCHEMBL18271781 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL28248434 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL28998876 | 0.70 | — | — | |
| SCHEMBL20232280 | 0.69 | ALDH1A1 (0.43) | — | |
| SCHEMBL27946985 | 0.67 | — | — | |
| SCHEMBL6172192 | 0.65 | — | — | |
| SCHEMBL2415232 | 0.65 | — | — | |
| SCHEMBL16486296 | 0.64 | — | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101528721-B | Process for the preparation of (s)-4-fluoromethyl-dihydro-furan-2-one | HOFFMANN LA ROCHE | 2013-01-02 | — | — | CN | disclosed |
| CN-101180282-B | Preparation of (s)-4-fluoromethyl-dihydro-furan-2-one | HOFFMANN LA ROCHE | 2011-09-21 | — | — | CN | disclosed |
| US-7956201-B2 | Reacting glycidyl ether with fluoride salt, then dialkylmalonate, coupling of (S)-4-fluoromethyl-dihydro-furan-2-one formed with amino-pyrido[2,1-a]isoquinoline derivative, cyclization; useful for treatment and/or prophylaxis of diseases associated with DPP IV such as diabetes, inflammatory bowel disease | HOFFMAN-LA ROCHE INC. (US) | 2011-06-07 | — | — | US | disclosed |
| EP-1638970-B1 | PYRID (2, 1-A) - ISOQUINOLINE DERIVATIVES AS DPP-IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2010-11-24 | — | — | EP | disclosed |
| EP-2079721-B1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2010-07-28 | — | — | EP | disclosed |
| EP-2079721-B1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2010-07-28 | — | — | 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 |
| CN-101528721-A | Process for the preparation of (S)-4-fluoromethyl-dihydro-furan-2-one | HOFFMANN LA ROCHE (CH) | 2009-09-09 | — | — | CN | disclosed |
| EP-2079721-A2 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. Hoffmann-Roche AG (CH) | 2009-07-22 | — | — | EP | disclosed |
| EP-1893595-B1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2008-09-03 | — | — | EP | disclosed |
| US-20080108816-A1 | PROCESS FOR THE PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-05-08 | — | — | US | 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 |
| EP-1893595-A1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. Hoffmann-Roche AG (CH) | 2008-03-05 | — | — | 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 |
| 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 |