SCHEMBL105974

SCHEMBL105974

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

nearest known ligand 0.59

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 6)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.59
CA4 known ✓ P22748 2/20 0.44
CA1 known ✓ P00915 2/20 0.42
GABRR1 P24046 2/20 0.42
CYP1A2 P05177 1/20 0.42
SLC22A16 Q86VW1 1/20 0.39

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
Lithium Ion SCHEMBL105144 0.95 CA2 (0.52) CA2CA4GABRR1CA1CYP1A2
Potassium Ion SCHEMBL107395 0.95 CA2 (0.52) CA2CA4GABRR1CA1CYP1A2
SCHEMBL104295 0.81 CA2 (0.62) CA2CA4CA1SLC22A16
SCHEMBL105973 0.79 CA2 (0.59) CA2CA4CA1SLC22A16
(R)-3-Hydroxybutanoate SCHEMBL19915248 0.78 CA2 (0.65) CA2CA4CA1SLC22A16
(R)-3-Hydroxybutanoate SCHEMBL7765391 0.78
(R)-3-Hydroxybutanoate SCHEMBL1819385 0.78
(R)-3-Hydroxybutanoate SCHEMBL1331366 0.78
(R)-3-Hydroxybutanoate SCHEMBL194589 0.78
(R)-3-Hydroxybutanoate SCHEMBL1330790 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426558-B1 Silicon-containing film-forming composition, silicon-containing film-formed substrate, and patterning process SHINETSU CHEMICAL CO (JP) 2018-10-24 EP disclosed
EP-2500775-B1 PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR SHINETSU CHEMICAL CO (JP) 2018-01-03 EP disclosed
US-8951711-B2 Patterning process and composition for forming silicon-containing film usable therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2015-02-10 US disclosed
US-20140342289-A1 PATTERNING PROCESS AND COMPOSITION FOR FORMING SILICON-CONTAINING FILM USABLE THEREFOR SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-20 US disclosed
US-8852844-B2 Composition for forming silicon-containing film, silicon-containing film-formed substrate and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-07 US disclosed
US-8835102-B2 Patterning process and composition for forming silicon-containing film usable therefor SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-16 US disclosed
EP-2172807-B1 Composition for forming silicon-containing film, silicon-containing film-formed substrate and patterning process SHINETSU CHEMICAL CO (JP) 2014-06-18 EP disclosed
EP-2172808-B1 Metal oxide-containing film-forming composition metal oxide-containing film-formed substrate, and patterning process SHINETSU CHEMICAL CO (JP) 2014-06-04 EP disclosed
US-8652750-B2 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-8652267-B2 Coated-type silicon-containing film stripping process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-02-18 US disclosed
US-20090011372-A1 SILICON-CONTAINING FILM-FORMING COMPOSITION, SILICON-CONTAINING FILM, SILICON-CONTAINING FILM-BEARING SUBSTRATE, AND PATTERNING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-01-08 US disclosed
EP-2011829-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shin-Etsu Chemical Co., Ltd. (JP) 2009-01-07 EP disclosed
EP-2011830-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shin-Etsu Chemical Co., Ltd. (JP) 2009-01-07 EP disclosed
EP-1867681-B1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method SHINETSU CHEMICAL CO (JP) 2008-12-31 EP disclosed
US-20080274432-A1 SILICONE-CONTAINING FILM-FORMING COMPOSITION, SILICON-CONTAINING FILM, SILICON-CONTAINING FILM-BEARING SUBSTRATE, AND PATTERNING METHOD SHIN-ETSU CHEMICAL CO., LTD. (JP) 2008-11-06 US disclosed
US-20080026322-A1 Hydrolytic condensation of organosilicon compound using acid and basic catalyst with Group 1a hydroxide, organic acid and solvent; efficiency patterning photoresist film SHIN-ETSU CHEMICAL CO., LTD. 2008-01-31 US disclosed
EP-1867681-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shin-Etsu Chemical Co., Ltd. (JP) 2007-12-19 EP disclosed
EP-1845132-A2 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method Shinetsu Chemical Co., Ltd. (JP) 2007-10-17 EP disclosed
US-20070238300-A1 Silicon-containing film-forming composition, silicon-containing film, silicon-containing film-bearing substrate, and patterning method SHIN-ETSU CHEMICAL CO., LTD. 2007-10-11 US disclosed
CN-1568370-A treatment of central nervous system disorders with D-amino acid oxidase and D-aspartate oxidase antagonists GENSET SA (FR) 2005-01-19 CN disclosed