⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9963357 | 1.00 | — | — | |
| SCHEMBL104638 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL5508249 | 0.96 | TDP1 (0.50) | — | |
| SCHEMBL122330 | 0.82 | TDP1 (0.39) | — | |
| SCHEMBL15132744 | 0.82 | TDP1 (0.64) | — | |
| Hydrochloric Acid SCHEMBL8779799 | 0.78 | TDP1 (0.36) | — | |
| SCHEMBL19531760 | 0.77 | TDP1 (0.47) | — | |
| SCHEMBL21580484 | 0.77 | TDP1 (0.47) | — | |
| SCHEMBL6070843 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL19729482 | 0.74 | TDP1 (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021211408-A1 | SUBSTITUTED {1,2,4,} TRIAZOLO{1,5-A} PYRIMIDINE COMPOUNDS AND USE IN STABILIZING MICROTUBULES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2021-10-21 | — | — | WO | disclosed |
| US-20130116169-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-09 | — | — | US | disclosed |
| US-8217048-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-07-10 | — | — | US | disclosed |
| US-20110104115-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCOROPRATED (US) | 2011-05-05 | — | — | US | disclosed |
| US-20100173851-A1 | INHIBITORS OF SERINE PROTEASES, PARTICULARLY HCV NS3-NS4A PROTEASE | VERTEX PHARMACEUTICALS INCORPORATED | 2010-07-08 | — | — | US | disclosed |
| US-7745444-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-29 | — | — | US | disclosed |
| US-20080311079-A1 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-12-18 | — | — | US | disclosed |
| US-7378422-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-05-27 | — | — | US | disclosed |
| US-20070292933-A1 | Inhibitors of serine proteases, particular HCV NS3-NS4A protease | PITLIK JANOS | 2007-12-20 | — | — | US | disclosed |
| US-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | US | disclosed |
| US-7273885-B2 | Inhibitors of serine proteases, particularly HCV NS3-NS4A protease | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-09-25 | — | — | US | disclosed |