⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL333690 | 0.76 | — | — | |
| SCHEMBL9870430 | 0.67 | — | — | |
| SCHEMBL10458765 | 0.64 | — | — | |
| SCHEMBL10349775 | 0.64 | — | — | |
| SCHEMBL333508 | 0.63 | — | — | |
| SCHEMBL412441 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL2438019 | 0.58 | — | — | |
| SCHEMBL2444640 | 0.57 | — | — | |
| SCHEMBL1997792 | 0.57 | — | — | |
| SCHEMBL2001107 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4009159-A | PENICILLINS | FUJISAWA PHARMACEUTICAL CO., LTD. (JA) | 1977-02-22 | — | — | US | claimed |
| 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 |
| EP-0280240-B1 | Cephalosporin derivatives, process for their preparation and antibacterial agents | BANYU PHARMA CO LTD (JP) | 1994-09-14 | — | — | EP | disclosed |
| US-5049665-A | Cephalosporin derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1991-09-17 | — | — | US | disclosed |
| US-4918070-A | Antibiotics | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0280240-A2 | Cephalosporin derivatives, process for their preparation and antibacterial agents | Banyu Pharmaceutical Co., Ltd. (JP) | 1988-08-31 | — | — | EP | disclosed |
| US-4242507-A | Sulfonic acid esters | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1980-12-30 | — | — | US | disclosed |