⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2441469 | 0.75 | HPGD (0.35) | — | |
| SCHEMBL2440603 | 0.67 | PDE10A (0.39) | — | |
| SCHEMBL2443892 | 0.65 | — | — | |
| SCHEMBL20595698 | 0.64 | PDE4A (0.34) | — | |
| SCHEMBL2442488 | 0.57 | HPGD (0.45) | — | |
| SCHEMBL1233712 | 0.57 | PDPK1 (0.59) | — | |
| SCHEMBL175478 | 0.57 | ALDH1A1 (0.33) | — | |
| SCHEMBL6003419 | 0.57 | TSHR (0.43) | — | |
| SCHEMBL13522226 | 0.56 | PDE4A (0.33) | — | |
| SCHEMBL20013040 | 0.56 | LMNA (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 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 |