SCHEMBL18889042

SCHEMBL18889042

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

nearest known ligand 0.67

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
CA4 known ✓ P22748 2/20 0.41
ACLY P53396 4/20 0.67
CPT2 P23786 1/20 0.67
HSPD1 P10809 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL31683880 0.88 CPT2 (0.50) ACLYCPT2CA4ALDH1A1
Potassium Ion SCHEMBL2966018 0.83 CPT2 (0.50) ACLYCPT2CA4ALDH1A1
Potassium Ion SCHEMBL6843939 0.83 CPT2 (0.50) ACLYCPT2CA4
Water SCHEMBL2964495 0.82 CPT2 (0.48) ACLYCPT2CA4
SCHEMBL17181757 0.80 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2110910 0.80 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL17181773 0.80 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL2111332 0.80 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL6773065 0.80 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1
SCHEMBL721435 0.80 ACLY (1.00) ACLYCPT2HSPD1BLMHSPE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11027523-B2 Polyester film incorporating silicone for release of canned meat products TORAY PLASTICS (AMERICA), INC. (US) 2021-06-08 US disclosed
EP-3658611-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS Toray Plastics (America), Inc. (US) 2020-06-03 EP disclosed
WO-2019023411-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA), INC. (US) 2019-01-31 WO disclosed
EP-3423517-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS Toray Plastics (America) , Inc. (US) 2019-01-09 EP disclosed
EP-3277499-A1 SILICONE COATED POLYESTER FILM FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA), INC. (US) 2018-02-07 EP disclosed
US-20170326842-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA), INC. 2017-11-16 US disclosed
WO-2017093914-A1 SILICONE COATED POLYESTER FILM FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA), INC. (US) 2017-06-08 WO disclosed
US-20170152075-A1 SILICONE COATED POLYESTER FILM FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA) INC. 2017-06-01 US disclosed
US-20170152356-A1 POLYESTER FILM INCORPORATING SILICONE FOR RELEASE OF CANNED MEAT PRODUCTS TORAY PLASTICS (AMERICA) INC. 2017-06-01 US disclosed