SCHEMBL1819079

SCHEMBL1819079

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

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Potassium Ion SCHEMBL1694144 0.94
SCHEMBL11668575 0.94 CA1 (0.33)
SCHEMBL11512056 0.94 CA1 (0.33)
SCHEMBL11773195 0.94 CA1 (0.33)
SCHEMBL11668572 0.94 CA1 (0.33)
SCHEMBL11422588 0.88 CA1 (0.35)
SCHEMBL5859167 0.76 CYP3A4 (0.36)
SCHEMBL5862198 0.76 CYP3A4 (0.36)
SCHEMBL11429537 0.75
SCHEMBL6570958 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8497337-B2 Process for producing water-absorbing polymer particles with improved color stability BASF SE (DE) 2013-07-30 US claimed
CN-102770469-A Method for producing water-absorbing polymer particles having improved color stability BASF SE 2012-11-07 CN claimed
EP-2504368-A2 METHOD FOR PRODUCING WATER-ABSORBING POLYMER PARTICLES HAVING IMPROVED COLOR STABILITY BASF SE (DE) 2012-10-03 EP claimed
WO-2011061125-A2 METHOD FOR PRODUCING WATER-ABSORBING POLYMER PARTICLES HAVING IMPROVED COLOR STABILITY BASF SE (DE) 2011-05-26 WO claimed
US-20110121230-A1 Process for Producing Water-Absorbing Polymer Particles with Improved Color Stability BASF SE (DE) 2011-05-26 US claimed
CN-114591170-A Method for preparing glyoxylic acid ester by oxidizing glycolic acid ester 中国科学院大连化学物理研究所 2022-06-07 CN disclosed
EP-2828305-B1 PARTICULATE SUPERABSORBENT COPOLYMER EVONIK SUPERABSORBER LLC (US) 2022-05-04 EP disclosed
CN-109761800-B Method for removing oxalic acid by continuous crystallization in glyoxylic acid production process 兄弟科技股份有限公司 2022-04-08 CN disclosed
EP-2828305-A1 SUPERABSORBENT COPOLYMER Evonik Corporation (US) 2015-01-28 EP disclosed
US-8871880-B2 Superabsorbent copolymer EVONIK CORPORATION (US) 2014-10-28 US disclosed
WO-2013139673-A1 SUPERABSORBENT COPOLYMER EVONIK CORPORATION (US) 2013-09-26 WO disclosed
US-20130253158-A1 SUPERABSORBENT COPOLYMER EVONIK SUPERABSORBER LLC 2013-09-26 US disclosed
US-8497337-B2 Process for producing water-absorbing polymer particles with improved color stability BASF SE (DE) 2013-07-30 US disclosed
CN-102770469-A Method for producing water-absorbing polymer particles having improved color stability BASF SE 2012-11-07 CN disclosed
EP-2504368-A2 METHOD FOR PRODUCING WATER-ABSORBING POLYMER PARTICLES HAVING IMPROVED COLOR STABILITY BASF SE (DE) 2012-10-03 EP disclosed
WO-2011061125-A2 METHOD FOR PRODUCING WATER-ABSORBING POLYMER PARTICLES HAVING IMPROVED COLOR STABILITY BASF SE (DE) 2011-05-26 WO disclosed
US-20110121230-A1 Process for Producing Water-Absorbing Polymer Particles with Improved Color Stability BASF SE (DE) 2011-05-26 US disclosed