SCHEMBL7004803

SCHEMBL7004803

[Na+].[S][S-]

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
Lithium Ion SCHEMBL7737976 0.75
SCHEMBL3752290 0.58
SCHEMBL31256657 0.50
SCHEMBL11138911 0.50 CA1 (0.50)
SCHEMBL29628015 0.50
SCHEMBL30149517 0.50
SCHEMBL4493111 0.50
SCHEMBL156040 0.50
SCHEMBL9697682 0.50
SCHEMBL29732618 0.50

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103842448-A Method for reducing indigo UNIV NAT CHONNAM IND FOUND 2014-06-04 CN disclosed
EP-1267810-A2 METHOD FOR COLOURING HAIR THE PROCTER & GAMBLE COMPANY (US) 2003-01-02 EP disclosed
WO-2001076546-A2 METHOD FOR COLOURING HAIR THE PROCTER & GAMBLE COMPANY (US) 2001-10-18 WO disclosed
EP-0801971-A1 WASTE GAS AND DUST TREATMENT METHOD KANEKA CORPORATION (JP) 1997-10-22 EP disclosed
EP-0308719-A1 Method for production of hydroxylammonium salt SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-03-29 EP disclosed
EP-0241140-A1 Assay method with a multivalently labelled reagent, and means therefor BioCarb AB (SE) 1987-10-14 EP disclosed
US-4199472-A SODIUM DITHIONITE AND FIBERS MITSUBISHI GAS CHEMICAL COMPANY INC. (JP) 1980-04-22 US disclosed