⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL287041 | 0.70 | — | — | |
| SCHEMBL20313438 | 0.70 | CA12 (0.36) | — | |
| SCHEMBL3214514 | 0.66 | — | — | |
| SCHEMBL18337134 | 0.65 | — | — | |
| SCHEMBL18824335 | 0.65 | — | — | |
| SCHEMBL9418657 | 0.64 | — | — | |
| SCHEMBL9418654 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL9418650 | 0.64 | — | — | |
| Methane SCHEMBL10339744 | 0.62 | — | — | |
| SCHEMBL2328513 | 0.62 | — | — |
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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-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-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-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 |
| 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 |
| US-20130109859-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | HOFFMANN-LA ROCHE INC. (US) | 2013-05-02 | — | — | US | disclosed |
| US-20130109859-A1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-a] ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | HOFFMANN-LA ROCHE INC. (US) | 2013-05-02 | — | — | US | disclosed |
| US-20120022260-A1 | PROCESS FOR THE PREPARATION OF PYRIDO [2,1-a] ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | ABRECHT STEFAN (CH) | 2012-01-26 | — | — | US | disclosed |
| US-20120010413-A1 | Process for the Preparation of Pyrido [2,1-a] Isoquinoline Derivatives by Catalytic Asymmetric Hydrogenation of an Enamine | ABRECHT STEFAN (CH) | 2012-01-12 | — | — | US | disclosed |
| US-20120010413-A1 | Process for the Preparation of Pyrido [2,1-a] Isoquinoline Derivatives by Catalytic Asymmetric Hydrogenation of an Enamine | ABRECHT STEFAN (CH) | 2012-01-12 | — | — | US | disclosed |
| EP-2066667-B1 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES COMPRISING OPTICAL RESOLUTION OF AN ENAMINE | HOFFMANN LA ROCHE (CH) | 2011-08-31 | — | — | EP | disclosed |
| US-20080076925-A1 | PROCESS FOR THE PREPARATION OF PYRIDO &lsqb; 2-1-A&rsqb; ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | US | disclosed |
| US-20080076925-A1 | PROCESS FOR THE PREPARATION OF PYRIDO &lsqb; 2-1-A&rsqb; ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-27 | — | — | US | 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 |
| 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 |
| WO-2008031750-A2 | PROCESS FOR THE PREPARATION OF PYRIDO[2,1-A]ISOQUINOLINE DERIVATIVES BY CATALYTIC ASYMMETRIC HYDROGENATION OF AN ENAMINE | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-20 | — | — | WO | disclosed |