⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4380745 | 0.75 | — | — | |
| SCHEMBL1997298 | 0.67 | — | — | |
| SCHEMBL2006259 | 0.67 | — | — | |
| SCHEMBL209182 | 0.64 | — | — | |
| SCHEMBL24514 | 0.58 | — | — | |
| SCHEMBL19350444 | 0.57 | — | — | |
| SCHEMBL10084153 | 0.57 | KDM4E (0.31) | — | |
| SCHEMBL16049558 | 0.55 | — | — | |
| SCHEMBL3935658 | 0.55 | EGFR (0.35) | — | |
| SCHEMBL4422701 | 0.55 | — | — |
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 60 patents — showing the first 20. 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 | claimed |
| 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 | claimed |
| WO-2009152824-A1 | HETEROCYCLIC DERIVATIVES AS IAP BINDING COMPOUNDS | NUEVOLUTION A/S (DK) | 2009-12-23 | — | — | WO | claimed |
| EP-2009004-A1 | NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2008-12-31 | — | — | EP | claimed |
| 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 | claimed |
| US-20180340174-A1 | METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS | NANOCORE APS (DK) | 2018-11-29 | — | — | US | disclosed |
| EP-3218479-A1 | METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS | Nanocore ApS (DK) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016074683-A1 | METHOD FOR IDENTIFICATION OF MOLECULES WITH DESIRED CHARACTERISTICS | LUNDORF PEDERSEN MATERIALS APS (DK) | 2016-05-19 | — | — | WO | disclosed |
| EP-1925611-B1 | OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME | DAIICHI SANKYO CO LTD (JP) | 2016-04-13 | — | — | EP | disclosed |
| US-8884020-B2 | Indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| EP-2610244-A1 | Indole compounds | Ironwood Pharmaceuticals, Inc. (US) | 2013-07-03 | — | — | EP | disclosed |
| EP-2431370-B1 | Monoacylated 1,2-diaminocycloalkanes | DAIICHI SANKYO CO LTD (JP) | 2013-06-19 | — | — | EP | disclosed |
| EP-1577301-A1 | DIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-09-21 | — | — | EP | disclosed |
| EP-1577302-A1 | NOVEL ETHYLENEDIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-09-21 | — | — | EP | disclosed |
| US-20050119486-A1 | Diamine derivatives | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2005-06-02 | — | — | US | disclosed |
| US-20050020645-A1 | Diamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2005-01-27 | — | — | US | disclosed |
| US-20040122063-A1 | Ethylenediamine derivatives | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-06-24 | — | — | US | disclosed |
| EP-1415992-A1 | DIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-05-06 | — | — | EP | disclosed |
| EP-1405852-A1 | DIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-04-07 | — | — | EP | disclosed |
| EP-1270557-A1 | ETHYLENEDIAMINE DERIVATIVES | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2003-01-02 | — | — | EP | disclosed |