⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2313060 | 0.76 | — | — | |
| SCHEMBL2227804 | 0.65 | — | — | |
| SCHEMBL3977600 | 0.63 | CA1 (0.32) | — | |
| SCHEMBL31587885 | 0.63 | POLB (0.34) | — | |
| SCHEMBL4503382 | 0.59 | TDP1 (0.35) | — | |
| SCHEMBL4375970 | 0.56 | — | — | |
| SCHEMBL7341958 | 0.56 | — | — | |
| SCHEMBL8168258 | 0.56 | — | — | |
| SCHEMBL122103 | 0.56 | — | — | |
| SCHEMBL3744044 | 0.56 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1725548-B1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS | VERTEX PHARMA (US) | 2015-01-14 | — | — | EP | disclosed |
| EP-2399915-B1 | Process and intermediates for the preparation of aspartic acetal caspase inhibitors | VERTEX PHARMA (US) | 2014-12-17 | — | — | EP | disclosed |
| EP-2399916-B1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMA (US) | 2014-12-10 | — | — | EP | disclosed |
| US-20130066083-A1 | PROCESSES AND INTERMEDIATES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-14 | — | — | US | disclosed |
| US-8293929-B2 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-23 | — | — | US | disclosed |
| EP-2399916-A1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |
| EP-2399915-A1 | Process and intermediates for the preparation of aspartic acetal caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |
| US-20110071298-A1 | Processes and Intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-24 | — | — | US | disclosed |
| US-7834200-B2 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-11-16 | — | — | US | disclosed |
| US-20090048429-A1 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED | 2009-02-19 | — | — | US | disclosed |
| US-7381827-B2 | 5-Ethoxy-4-(1-(benzyloxycarbonyl)-2-pyrrolidinylcarbonylamino)-5H-furan-2-one; purification by chromatography, selectively crystallization, or dynamic crystallization; useful for preparing caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-06-03 | — | — | US | disclosed |
| EP-1725548-A2 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2006-11-29 | — | — | EP | disclosed |
| US-20060020016-A1 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED | 2006-01-26 | — | — | US | disclosed |
| WO-2005090334-A2 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2005-09-29 | — | — | WO | disclosed |