SCHEMBL921014

SCHEMBL921014

CCC(S)C(=O)[O-].[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL11217754 0.94 TSHR (0.40)
Potassium Ion SCHEMBL7331283 0.94
SCHEMBL9435258 0.94
Zinc Ion SCHEMBL6051638 0.94 TSHR (0.40)
SCHEMBL11546184 0.90 TSHR (0.37)
SCHEMBL1723574 0.90 TSHR (0.37)
SCHEMBL1723575 0.90 TSHR (0.37)
SCHEMBL21333565 0.79 CA2 (0.41)
SCHEMBL7079894 0.77
SCHEMBL7716917 0.77 CYP3A4 (0.42)

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872257-B2 Organic thin film transistor array and method of manufacturing the same HITACHI, LTD. (JP) 2011-01-18 US claimed
US-20080315191-A1 Organic Thin Film Transistor Array and Method of Manufacturing the Same HITACHI, LTD. 2008-12-25 US claimed
US-20080012009-A1 FIELD EFFECT TRANSISTOR, ORGANIC THIN-FILM TRANSISTOR AND MANUFACTURING METHOD OF ORGANIC TRANSISTOR HITACHI, LTD. (JP) 2008-01-17 US claimed
EP-1879240-A2 Field effect transistor, organic thin-film transistor and manufacturing method of organic transistor Hitachi, Ltd. (JP) 2008-01-16 EP claimed
EP-2539949-B1 ELECTRODE TREATMENT PROCESS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-01-10 EP disclosed
US-8878165-B2 Electrode treatment process for organic electronic devices MERCK PATENT GMBH (DE) 2014-11-04 US disclosed
US-20130161602-A1 PROCESS FOR MODIFYING ELECTRODES IN AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-06-27 US disclosed
EP-2586075-A1 PROCESS FOR MODIFYING ELECTRODES IN AN ORGANIC ELECTRONIC DEVICE Merck Patent GmbH (DE) 2013-05-01 EP disclosed
EP-2539949-A1 ELECTRODE TREATMENT PROCESS FOR ORGANIC ELECTRONIC DEVICES Merck Patent GmbH (DE) 2013-01-02 EP disclosed
US-20120319097-A1 ELECTRODE TREATMENT PROCESS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-20 US disclosed
WO-2011160754-A1 PROCESS FOR MODIFYING ELECTRODES IN AN ORGANIC ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2011-12-29 WO disclosed
WO-2011103952-A1 ELECTRODE TREATMENT PROCESS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-09-01 WO disclosed
US-7622734-B2 Organic transistor using self-assembled monolayer HITACHI, LTD. (JP) 2009-11-24 US disclosed
US-20080315191-A1 Organic Thin Film Transistor Array and Method of Manufacturing the Same HITACHI, LTD. 2008-12-25 US disclosed
US-20080087883-A1 Organic Transistor Using Self-Assembled Monolayer HITACHI, LTD. (JP) 2008-04-17 US disclosed
EP-1401817-A4 ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS INC (US) 2005-11-02 EP disclosed
US-6777425-B2 WHICH BINDS NUCLEIC ACIDS/DNA; GENE EXPRESSION; GENETIC ENGINEERING GENESOFT PHARMACEUTICALS, INC. 2004-08-17 US disclosed
EP-1401817-A1 ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY Genesoft Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
US-20030083268-A1 Isoquinoline compounds having antiinfective activity GENESOFT, INC. (US) 2003-05-01 US disclosed
WO-2002100832-A1 ISOQUINOLINE COMPOUNDS HAVING ANTIINFECTIVE ACTIVITY GENESOFT PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed