SCHEMBL8513659

SCHEMBL8513659

CCCSC(=S)[S-].[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
SCHEMBL11309327 0.94 TDP1 (0.40)
SCHEMBL10397109 0.84
SCHEMBL35267 0.80 CA12 (0.48)
SCHEMBL20142451 0.80 CA12 (0.48)
SCHEMBL13858780 0.80 CA12 (0.48)
SCHEMBL11605944 0.80 CA12 (0.48)
Zinc Ion SCHEMBL5450533 0.79 NOS3 (0.44)
Potassium Ion SCHEMBL11855148 0.79
SCHEMBL419996 0.77
SCHEMBL11039650 0.75 CA12 (0.43)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3235880-B1 PROCESS FOR PRODUCING POLYMER-FUNCTIONALIZED CARBON BLACK PARTICLES CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2018-11-14 EP disclosed
EP-2643414-B1 PROCESS FOR PRODUCING POLYMER-FUNCTIONALIZED SILICA PARTICLES CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2018-11-07 EP disclosed
EP-3235880-A1 PROCESS FOR PRODUCING POLYMER-FUNCTIONALIZED FILLER PARTICLES Continental Reifen Deutschland GmbH (DE) 2017-10-25 EP disclosed
CN-103221490-B For the production of the method for the filler particles of functionalization of polymers CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2015-08-12 CN disclosed
US-8912267-B2 Process for producing polymer-functionalized filler particles CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2014-12-16 US disclosed
US-20130261272-A1 PROCESS FOR PRODUCING POLYMER-FUNCTIONALIZED FILLER PARTICLES CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2013-10-03 US disclosed
EP-2643414-A2 PROCESS FOR PRODUCING POLYMER-FUNCTIONALIZED FILLER PARTICLES Continental Reifen Deutschland GmbH (DE) 2013-10-02 EP disclosed
CN-103221490-A Process for producing polymer-functionalized filler particles CONTINENTAL REIFEN DEUTSCHLAND 2013-07-24 CN disclosed
WO-2012069403-A2 PROCESS FOR PRODUCING POLYMER-FUNCTIONALIZED FILLER PARTICLES CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2012-05-31 WO disclosed