⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4984365 | 1.00 | — | — | |
| SCHEMBL4925273 | 0.84 | — | — | |
| SCHEMBL2251820 | 0.82 | — | — | |
| SCHEMBL4934831 | 0.76 | — | — | |
| SCHEMBL538966 | 0.72 | — | — | |
| SCHEMBL9022791 | 0.72 | — | — | |
| SCHEMBL955187 | 0.72 | — | — | |
| SCHEMBL539058 | 0.72 | — | — | |
| SCHEMBL539152 | 0.72 | — | — | |
| SCHEMBL9030928 | 0.71 | SAT1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1893595-B1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2008-09-03 | — | — | EP | 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 |