⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24105302 | 1.00 | — | — | |
| SCHEMBL8225093 | 1.00 | — | — | |
| SCHEMBL25846167 | 1.00 | — | — | |
| SCHEMBL18649194 | 1.00 | — | — | |
| SCHEMBL13201869 | 1.00 | — | — | |
| SCHEMBL8219704 | 0.95 | ALDH1A1 (0.32) | — | |
| SCHEMBL18374424 | 0.95 | ALDH1A1 (0.32) | — | |
| SCHEMBL15222067 | 0.95 | ALDH1A1 (0.32) | — | |
| SCHEMBL24104956 | 0.93 | ALDH1A1 (0.30) | — | |
| SCHEMBL21159481 | 0.85 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023125825-A1 | ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF | SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | WO | disclosed |
| US-8871904-B2 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-10-28 | — | — | US | disclosed |
| US-20140107318-A1 | PROCESSES AND INTERMEDIATES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-04-17 | — | — | US | disclosed |
| US-8637457-B2 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2014-01-28 | — | — | US | disclosed |
| US-20130172276-A1 | PROCESSES AND INTERMEDIATES | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-07-04 | — | — | US | disclosed |
| US-8399615-B2 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-03-19 | — | — | US | disclosed |
| US-7776887-B2 | producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-08-17 | — | — | US | disclosed |
| US-20100174077-A1 | Processes and intermediates | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-07-08 | — | — | US | disclosed |
| US-20100063252-A1 | PROCESSES AND INTERMEDIATES | VERTEX PHARMACEUTICALS INCORPORATED | 2010-03-11 | — | — | US | disclosed |
| US-20070087973-A1 | producing (1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide, used as serine protease inhibitors, useful for treatment of hepatitis C virus infections | VERTEX PHARMACEUTICALS INCORPORATED | 2007-04-19 | — | — | US | disclosed |