SCHEMBL6934111

SCHEMBL6934111

O=C([O-])c1cc(S(=O)(=O)O)c(CCO)c(C(=O)[O-])c1CCO.[Na+].[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
SCHEMBL9476987 0.90 CA2 (0.32)
SCHEMBL7789819 0.88
SCHEMBL1710243 0.85 S1PR3 (0.31)
SCHEMBL6686080 0.84 S1PR3 (0.35)
SCHEMBL6684901 0.80 ALDH1A1 (0.31)
SCHEMBL1073390 0.78 ALDH1A1 (0.38)
SCHEMBL3338207 0.74 CA1 (0.30)
SCHEMBL3912731 0.74
SCHEMBL6932197 0.72 CA1 (0.35)
SCHEMBL8908710 0.71 GAA (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665801-A High molecular weight polyester flame retardant and process for preparing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-09-09 US claimed
CN-106380585-A Preparation method of antistatic copolyester 浙江理工大学 2017-02-08 CN disclosed
US-6653000-B2 Layer of a granular substance such as carbon black dispersed in a binder, also comprising an azo dye-containing compound with amide and amine groups; for recording digital data FUJI PHOTO FILM CO., LTD. (JP) 2003-11-25 US disclosed
US-6500551-B1 FERROMAGNETIC POWDER DISPERSED IN POLYURETHANE BINDER; STORAGE STABILITY FUJI PHOTO FILM CO., LTD (JP) 2002-12-31 US disclosed
US-20020064687-A1 Magnetic recording medium FUJI PHOTO FILM CO., LTD. 2002-05-30 US disclosed
US-5665801-A High molecular weight polyester flame retardant and process for preparing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 1997-09-09 US disclosed