⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2441817 | 0.79 | — | — | |
| SCHEMBL21206491 | 0.62 | KDR (0.59) | — | |
| SCHEMBL2444506 | 0.62 | PARP1 (0.37) | — | |
| SCHEMBL2446371 | 0.60 | — | — | |
| SCHEMBL8234405 | 0.60 | TDP1 (0.31) | — | |
| SCHEMBL275977 | 0.59 | PDE10A (0.48) | — | |
| SCHEMBL1367259 | 0.57 | AXL (0.52) | — | |
| SCHEMBL2579554 | 0.57 | — | — | |
| SCHEMBL5579149 | 0.56 | PDPK1 (0.37) | — | |
| SCHEMBL112929 | 0.55 | HTT (0.46) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |