⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1437113 | 0.77 | PARP1 (0.42) | — | |
| SCHEMBL15807126 | 0.73 | NOTUM (0.45) | — | |
| SCHEMBL1097374 | 0.65 | ALDH1A1 (0.53) | — | |
| SCHEMBL1099828 | 0.64 | BTK (0.64) | — | |
| SCHEMBL11634539 | 0.63 | NPC1 (0.38) | — | |
| SCHEMBL17609905 | 0.62 | ASIC3 (0.43) | — | |
| SCHEMBL1098921 | 0.61 | PTGS1 (0.45) | — | |
| SCHEMBL17673562 | 0.60 | POLB (0.39) | — | |
| SCHEMBL11517140 | 0.60 | NR1H2 (0.64) | — | |
| SCHEMBL196583 | 0.59 | ALDH1A1 (0.33) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016128905-A1 | THIENOPYRROLE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-08-18 | — | — | WO | disclosed |
| US-20130261130-A1 | NEUROTRYPSIN INHIBITORS | NEUROTUNE AG (CH) | 2013-10-03 | — | — | US | disclosed |
| EP-2635559-A2 | NEUROTRYPSIN INHIBITORS | Neurotune AG (CH) | 2013-09-11 | — | — | EP | disclosed |
| WO-2012059442-A2 | NEUROTRYPSIN INHIBITORS | NEUROTUNE AG (CH) | 2012-05-10 | — | — | WO | disclosed |
| US-20120107273-A1 | NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-05-03 | — | — | US | disclosed |
| US-8017612-B2 | therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors | JAPAN TOBACCO INC. (JP) | 2011-09-13 | — | — | US | disclosed |
| CN-101472902-A | Novel piperazine compounds and their use as HCV polymerase inhibitors | JAPAN TOBACCO INC (JP) | 2009-07-01 | — | — | CN | disclosed |
| EP-2009004-A1 | NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2008-12-31 | — | — | EP | disclosed |
| US-20080081818-A1 | therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors | JAPAN TOBACCO INC. (JP) | 2008-04-03 | — | — | US | disclosed |