SCHEMBL8442297

SCHEMBL8442297

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

nearest known ligand 0.46

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 2)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.46
CASP1 P29466 1/20 0.32

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
SCHEMBL3219620 0.84 CA4 (0.44) CA4CASP1
SCHEMBL986408 0.82 CA4 (0.43) CA4
SCHEMBL16393916 0.80 CA4 (0.46) CA4
Potassium Ion SCHEMBL28038691 0.79 CA4 (0.39) CA4
SCHEMBL7094704 0.79 CA4 (0.40) CA4
SCHEMBL27555518 0.79 CA4 (0.40) CA4
SCHEMBL5923886 0.78 CA4 (0.48) CA4CASP1
SCHEMBL2030766 0.76 CA4 (0.63) CA4
SCHEMBL12500510 0.76 CA4 (0.38) CA4
SCHEMBL873668 0.76 CA4 (0.38) CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11660487-B2 Systems and compositions for suppressing and extinguishing fires APEX FIRE TECHNOLOGIES LLC (US) 2023-05-30 US disclosed
US-20210187337-A1 SYSTEMS AND COMPOSITIONS FOR SUPPRESSING AND EXTINGUISHING FIRES REDLINE FIRE SOLUTIONS, LLC 2021-06-24 US disclosed
US-10940352-B2 Systems and compositions for suppressing and extinguishing fires APEX FIRE TECHNOLOGIES LLC (US) 2021-03-09 US disclosed
US-20200101340-A1 SYSTEMS AND COMPOSITIONS FOR SUPPRESSING AND EXTINGUISHING FIRES REDLINE FIRE SOLUTIONS, LLC 2020-04-02 US disclosed
EP-0888434-A1 ENZYMATIC DETERGENT COMPOSITION AND METHOD FOR DEGRADING AND REMOVING BACTERIAL CELLULOSE KAY CHEMICAL COMPANY (US) 1999-01-07 EP disclosed
WO-1997032960-A1 ENZYMATIC DETERGENT COMPOSITION AND METHOD FOR DEGRADING AND REMOVING BACTERIAL CELLULOSE KAY CHEMICAL COMPANY (US) 1997-09-12 WO disclosed
EP-0551375-A1 POLYHYDROXY FATTY ACID AMIDES IN ZEOLITE/LAYERED SILICATE BUILT DETERGENTS. PROCTER & GAMBLE (US) 1993-07-21 EP disclosed
EP-0550557-A1 DETERGENT CONTAINING ALKYL SULFATE AND POLYHYDROXY FATTY ACID AMIDE SURFACTANTS. PROCTER & GAMBLE (US) 1993-07-14 EP disclosed
EP-0550606-A1 NONIONIC SURFACTANT SYSTEMS CONTAINING POLYHYDROXY FATTY ACID AMIDES AND ONE OR MORE ADDITIONAL NONIONIC SURFACTANTS. PROCTER & GAMBLE (US) 1993-07-14 EP disclosed
WO-1992006160-A1 NONIONIC SURFACTANT SYSTEMS CONTAINING POLYHYDROXY FATTY ACID AMIDES AND ONE OR MORE ADDITIONAL NONIONIC SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed
WO-1992006151-A1 POLYHYDROXY FATTY ACID AMIDES IN ZEOLITE/LAYERED SILICATE BUILT DETERGENTS THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed
WO-1992006162-A1 DETERGENT CONTAINING ALKYL SULFATE AND POLYHYDROXY FATTY ACID AMIDE SURFACTANTS THE PROCTER & GAMBLE COMPANY (US) 1992-04-16 WO disclosed