SCHEMBL1695398

SCHEMBL1695398

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

nearest known ligand 0.39

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.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.36
TSSK1B Q9BXA7 1/20 0.32
ENPEP Q07075 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL8441359 0.88 MEN1 (0.35) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL29994889 0.87 CA1 (0.39) MEN1ALDH1A1TSHRKMT2A
SCHEMBL28513985 0.86 TP53 (0.38) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL15420991 0.84 MEN1 (0.32) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL28534407 0.84 TSHR (0.41) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL6689822 0.82 TP53 (0.35) MEN1ALDH1A1TSHRKMT2ATP53
SCHEMBL2282335 0.82
SCHEMBL5149657 0.80
SCHEMBL9004902 0.80 ENPEP (0.48) ALDH1A1TSHRTP53ENPEP
SCHEMBL28098009 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112023726-B Low-energy-consumption high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2022-07-12 CN claimed
CN-112023726-A Low-energy-consumption high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2020-12-04 CN claimed
CN-112023726-B Low-energy-consumption high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2022-07-12 CN disclosed
CN-114728255-A Microspheres containing ionic groups and method for producing same 株式会社德山 2022-07-08 CN disclosed
WO-2021117837-A1 IONIC-GROUP-CONTAINING MICROBALLOON AND PRODUCTION METHOD THEREFOR 株式会社トクヤマ 2021-06-17 WO disclosed
CN-112023726-A Low-energy-consumption high-flux reverse osmosis membrane and preparation method and application thereof 万华化学集团股份有限公司 2020-12-04 CN disclosed
EP-2576657-B1 METHODS FOR PRODUCING CROSSLINKABLE SILYL GROUP-CONTAINING POLYOXYALKYLENE POLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2017-01-18 EP disclosed
US-8916669-B2 Methods for producing crosslinkable silyl group-containing polyoxyalkylene polymers DOW GLOBAL TECHNOLOGIES LLC (US) 2014-12-23 US disclosed
EP-2576657-A2 METHODS FOR PRODUCING CROSSLINKABLE SILYL GROUP-CONTAINING POLYOXYALKYLENE POLYMERS Dow Global Technologies LLC (US) 2013-04-10 EP disclosed
US-20130060000-A1 METHODS FOR PRODUCING CROSSLINKABLE SILYL GROUP-CONTAINING POLYOXYALKYLENE POLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2013-03-07 US disclosed
WO-2011150161-A2 METHODS FOR PRODUCING CROSSLINKABLE SILYL GROUP-CONTAINING POLYOXYALKYLENE POLYMERS. DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-01 WO disclosed
US-7094833-B2 Block copolymer KANEKA CORPORATION 2006-08-22 US disclosed
US-6992138-B2 Polyurethane polymer KANEKA CORPORATION (JP) 2006-01-31 US disclosed
US-20040236020-A1 Block copolymer KANEKA CORPORATION (JP) 2004-11-25 US disclosed
US-20040171765-A1 Polyurethane polymer KANEKA CORPORATION (JP) 2004-09-02 US disclosed
US-20040106732-A1 Thermoplastic resin composition and elastomer composition KANEKA CORPORATION (JP) 2004-06-03 US disclosed
EP-1411070-A1 BLOCK COPOLYMER KANEKA CORPORATION (JP) 2004-04-21 EP disclosed
US-6503995-B2 Hydrosilation KANEKA CORPORATION (JP) 2003-01-07 US disclosed
US-20020013427-A1 Method of producing crosslinkable silyl group-containing polyoxyalkylene polymers KANEKA CORPORATION (JP) 2002-01-31 US disclosed
EP-1146062-A1 Method of producing crosslinkable silyl group-containing polyoxyalkylene polymers Kaneka Corporation (JP) 2001-10-17 EP disclosed