⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL420617 | 0.76 | — | — | |
| SCHEMBL18845026 | 0.73 | — | — | |
| SCHEMBL9423576 | 0.71 | — | — | |
| SCHEMBL7303886 | 0.70 | CA1 (0.35) | — | |
| SCHEMBL7343489 | 0.69 | CA1 (0.38) | — | |
| SCHEMBL9422903 | 0.67 | HIF1A (0.43) | — | |
| SCHEMBL7303716 | 0.67 | HIF1A (0.43) | — | |
| SCHEMBL14791365 | 0.67 | — | — | |
| SCHEMBL17967787 | 0.65 | HIF1A (0.50) | — | |
| SCHEMBL17285983 | 0.65 | MC4R (0.44) | — |
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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119220510-A | Alkene reductase mutant, engineering bacterium and application thereof | 杭州凯创生物科技有限公司 | 2024-12-31 | — | — | CN | claimed |
| CN-107369849-B | Lithium secondary battery electrolyte and lithium secondary battery | 广州天赐高新材料股份有限公司 | 2021-04-13 | — | — | CN | claimed |
| 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 | claimed |
| EP-1893595-B1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | HOFFMANN LA ROCHE (CH) | 2008-09-03 | — | — | EP | claimed |
| EP-1893595-A1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. Hoffmann-Roche AG (CH) | 2008-03-05 | — | — | EP | claimed |
| 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 | claimed |
| WO-2006125728-A1 | PREPARATION OF (S)-4-FLUOROMETHYL-DIHYDRO-FURAN-2-ONE | F. HOFFMANN-LA ROCHE AG (CH) | 2006-11-30 | — | — | WO | claimed |
| CN-119220510-A | Alkene reductase mutant, engineering bacterium and application thereof | 杭州凯创生物科技有限公司 | 2024-12-31 | — | — | CN | disclosed |
| CN-119220510-A | Alkene reductase mutant, engineering bacterium and application thereof | 杭州凯创生物科技有限公司 | 2024-12-31 | — | — | CN | disclosed |
| US-20150252039-A1 | Process For The Preparation Of Pyrido[2,1-a] Isoquinoline Derivatives By Catalytic Asymmetric Hydrogenation Of An Enamine | HOFFMANN-LA ROCHE INC. | 2015-09-10 | — | — | US | disclosed |
| US-20150126743-A1 | Process For The Preparation Of Pyrido [2,1-A] Isoquinoline Derivatives Comprising Optical Resolution Of An Enamine | HOFFMANN-LA ROCHE INC. | 2015-05-07 | — | — | US | disclosed |
| US-20150031888-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2015-01-29 | — | — | US | disclosed |
| US-20140187785-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | HOFFMANN-LA ROCHE INC. (US) | 2014-07-03 | — | — | US | disclosed |
| WO-2008031749-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | disclosed |
| US-20080071087-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMAN-LA ROCHE INC. | 2008-03-20 | — | — | US | 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 |
| 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 |
| 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 |