SCHEMBL678901

SCHEMBL678901

O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.O=C([O-])OO.[Al+3].[Na+]

nearest known ligand 0.43

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 9)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.43
CA1 known ✓ P00915 2/20 0.40
FAHD1 Q6P587 1/20 0.43
MEN1 O00255 1/20 0.35
LDHA P00338 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33

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
SCHEMBL8893016 0.96 CA4 (0.40) CA4FAHD1CA1MEN1LDHA
SCHEMBL22782 0.96
SCHEMBL9639951 0.96 CA4 (0.46) CA4FAHD1CA1MEN1LDHA
SCHEMBL23592 0.96 CA4 (0.36) CA4FAHD1CA1
Water SCHEMBL3728022 0.92 CA1 (0.33) CA4FAHD1CA1
SCHEMBL8105624 0.92 CA1 (0.33) CA4FAHD1CA1
SCHEMBL7183669 0.92 CA1 (0.33) CA4FAHD1CA1
Lithium Ion SCHEMBL9249821 0.92 CA1 (0.33) CA4FAHD1CA1
SCHEMBL2353885 0.92 CA1 (0.33) CA4FAHD1CA1
Ammonia Solution, Strong SCHEMBL2338449 0.92 CA1 (0.33) CA4FAHD1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980983-B2 Highly flexible, halogen-free and fire-resistant thermoplastic cable mixtures LANXESS DEUTSCHLAND GMBH (DE) 2015-03-17 US claimed
EP-1655326-B1 Crosslinked polymer foam sheet and process therefor SEKISUI ALVEO AG (CH) 2012-03-28 EP claimed
US-20120010346-A1 HIGHLY FLEXIBLE, HALOGEN-FREE AND FIRE-RESISTANT THERMOPLASTIC CABLE MIXTURES LANXESS DEUTSCHLAND GMBH (DE) 2012-01-12 US claimed
EP-2315798-B1 HIGHLY FLEXIBLE, HALOGEN-FREE AND FIRE-RESISTANT THERMOPLASTIC CABLE MIXTURES LANXESS DEUTSCHLAND GMBH (DE) 2011-12-28 EP claimed
EP-2189495-A1 Highly flexible, halogen-free and flame-retardant thermoplastic cable mixtures Lanxess Deutschland GmbH (DE) 2010-05-26 EP claimed
US-20080103221-A1 Crosslinked Polymer Foam Sheet and Process Therefor SEKISUI VOLTEK, LLC 2008-05-01 US claimed
WO-2006048333-A1 CROSSLINKED POLYMER FOAM SHEET AND PROCESS THEREFOR VOLTEK LLC (US) 2006-05-11 WO claimed
EP-1655326-A1 Crosslinked polymer foam sheet and process therefor Alveo AG (CH) 2006-05-10 EP claimed
US-6323269-B1 CONVENIENT WAY OF INTRODUCING A BLOWING AGENT INTO A THERMOPLASTIC MATERIAL WHICH IS USED TO FORM FOAMED THERMOPLASTIC IMERYS PIGMENTS, INC. 2001-11-27 US claimed
EP-1064325-A1 MINERAL CONTAINING THERMOPLASTIC GRANULES Imerys Minerals Limited (GB) 2001-01-03 EP claimed
US-5218027-A Olefinic copolymer with carboxylic acid comonomer, elastomer, metal oxide hydrate and organopolysiloxane MOTRILE INDUSTRIES, LTD. (CA) 1993-06-08 US claimed
EP-0333514-B1 LOW TOXICITY, FIRE RETARDANT THERMOPLASTIC MATERIAL MORTILE INDUSTRIES LTD (CA) 1993-05-19 EP claimed
EP-0482007-A4 ENDOTHERMIC BLOWING AGENTS COMPOSITIONS AND APPLICATIONS 1992-05-13 EP claimed
EP-0482007-A1 ENDOTHERMIC BLOWING AGENTS COMPOSITIONS AND APPLICATIONS. HUBER CORP J M (US) 1992-04-29 EP claimed
US-5106534-A Polycarboxylic acid and inorganic carbonate surface treated with component which prevents water absorption J. M. HUBER CORPORATION (US) 1992-04-21 US claimed
US-5045570-A Additives are caused to concentrate at the surface of the foamed article J. M. HUBER CORPORATION (US) 1991-09-03 US claimed
US-5037580-A Mixture of surface treated polycarboxylic acid and inorganic carbonate J. M. HUBER CORPORATION (US) 1991-08-06 US claimed
US-5009810-A Mixture of polycarboxylic acid and inorganic carbonate surface treated with silane coupling agent, monoglycerides or stearic acid; foaming polymers J. M. HUBER CORPORATION (US) 1991-04-23 US claimed
WO-1990014384-A1 ENDOTHERMIC BLOWING AGENTS COMPOSITIONS AND APPLICATIONS J.M. HUBER CORPORATION (US) 1990-11-29 WO claimed
EP-0333514-A1 Low toxicity, fire retardant thermoplastic material MORTILE INDUSTRIES LTD (CA) 1989-09-20 EP claimed