SCHEMBL3708053

SCHEMBL3708053

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

nearest known ligand 0.56

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 13)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 5/20 0.45
CA1 known ✓ P00915 2/20 0.40
FAHD1 Q6P587 1/20 0.43
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.35
LDHA P00338 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
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
SCHEMBL16030450 0.96
Potassium Ion SCHEMBL3698707 0.96 CA4 (0.50) CA4FAHD1CA1LMNACYP3A4
Lithium Ion SCHEMBL3705787 0.96 CA4 (0.43) CA4FAHD1CA1LMNACYP3A4
Zinc Ion SCHEMBL3704342 0.92
SCHEMBL10611391 0.92
SCHEMBL16880025 0.92
SCHEMBL3981033 0.92
Potassium Ion SCHEMBL3290026 0.92 CA4 (0.43) CA4FAHD1CA1LMNACYP3A4
SCHEMBL11293371 0.92
Lithium Ion SCHEMBL3701930 0.92 CA4 (0.40) CA4FAHD1CA1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952569-B1 CALCIUM SEQUESTERING COMPOSITION RIVERTOP RENEWABLES INC (US) 2017-01-25 EP claimed
US-20160230123-A1 CALCIUM SEQUESTERING COMPOSITION RIVERTOP RENEWABLES INC (US) 2016-08-11 US claimed
WO-2016057497-A1 DETERGENT BUILDER AND DISPERSANT SYNERGY IN CALCIUM CARBONATE SCALE PREVENTION RIVERTOP RENEWABLES, INC. (US) 2016-04-14 WO claimed
US-20160102274-A1 DETERGENT BUILDER AND DISPERSANT SYNERGY IN CALCIUM CARBONATE SCALE PREVENTION SILICON VALLEY BANK 2016-04-14 US claimed
EP-2952569-A1 CALCIUM SEQUESTERING COMPOSITION Rivertop Renewables, Inc. (US) 2015-12-09 EP claimed
EP-2699660-A1 CALCIUM SEQUESTERING COMPOSITION Rivertop Renewables, Inc. (US) 2014-02-26 EP claimed
US-20120277141-A1 CALCIUM SEQUESTERING COMPOSITION SILICON VALLEY BANK 2012-11-01 US claimed
WO-2012145688-A1 CALCIUM SEQUESTERING COMPOSITION RIVERTOP RENEWABLES, INC. (US) 2012-10-26 WO claimed
WO-2012143794-A1 POLYMER STABILIZER SYSTEM FOR POLYMERS CONTAINING HALOGEN GALATA CHEMICALS GMBH (DE) 2012-10-26 WO claimed
EP-0164908-B1 PROCESS FOR PREPARATION OF COMPOSITIONS FOR MODIFYING PLANT GROWTH; COMPOSITION FOR PLANT GROWTH MODIFICATION: AND METHOD FOR THE USE THEREOF ACTAGRO, INC. (US) 1989-09-13 EP claimed
EP-0164908-A1 Process for preparation of compositions for modifying plant growth; composition for plant growth modification: and method for the use thereof ACTAGRO, INC. (US) 1985-12-18 EP claimed
US-20240390721-A1 LOW-TEMPERATURE MINERALIZATION OF A PERFLUOROALKYL AND POLYFLUOROALKYL SUBSTANCE IN POLAR APROTIC SOLVENTS NORTHWESTERN UNIVERSITY 2024-11-28 US disclosed
WO-2023056319-A1 LOW-TEMPERATURE MINERALIZATION OF A PERFLUOROALKYL AND POLYFLUOROALKYL SUBSTANCE IN POLAR APROTIC SOLVENTS NORTHWESTERN UNIVERSITY (US) 2023-04-06 WO disclosed
US-20210147580-A1 COMPOUND, METHOD OF PRODUCTION AND USES THEREOF UNIVERSIDADE NOVA DE LISBOA (PT) 2021-05-20 US disclosed
EP-3775147-A1 COMPOUND, METHOD OF PRODUCTION AND USES THEREOF Instituto Superior de Agronomia - Universidade de Lisboa (PT) 2021-02-17 EP disclosed
EP-0463123-A1 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE REMOVAL OF TOXIC METAL IONS AND RADIOACTIVE ISOTOPES FROM THE LIVING ORGANISM ORSZAGOS "FREDERIC JOLIOT-CURIE" SUGARBIOLOGIA ES SUGAREGESZSEGUGYI KUTATO INTEZET (HU) 1992-01-02 EP disclosed
WO-1991010655-A1 1,4,10,13-TETRAOXA-7,16-DIAZACYCLOOCTADECANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE FOR THE REMOVAL OF TOXIC METAL IONS AND RADIOACTIVE ISOTOPES FROM THE LIVING ORGANISM ORSZÁGOS 'FREDERIC JOLIOT-CURIE' SUGÁRBIOLÓGIAI ÉS SUGÁREGÉSZSÉGÜGYI KUTATÓ INTÉZET (HU) 1991-07-25 WO disclosed
EP-0164908-B1 PROCESS FOR PREPARATION OF COMPOSITIONS FOR MODIFYING PLANT GROWTH; COMPOSITION FOR PLANT GROWTH MODIFICATION: AND METHOD FOR THE USE THEREOF ACTAGRO, INC. (US) 1989-09-13 EP disclosed
EP-0164908-A1 Process for preparation of compositions for modifying plant growth; composition for plant growth modification: and method for the use thereof ACTAGRO, INC. (US) 1985-12-18 EP disclosed
US-4460723-A STABILIZATION WITH ACID SALTS ALONE AND WITH RUBBER ADDITIONS PHILLIPS PETROLEUM COMPANY (US) 1984-07-17 US disclosed