SCHEMBL2863682

SCHEMBL2863682

COC(=O)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 SCHEMBL6252795 0.97
SCHEMBL7042589 0.93
SCHEMBL7041831 0.93
SCHEMBL4376486 0.93 ALDH1A1 (0.43)
Tetramethylammonium Ion SCHEMBL15632768 0.88 ALDH1A1 (0.39)
Tetrylammonium SCHEMBL15632811 0.79 TSHR (0.38)
SCHEMBL11125459 0.77 BBOX1 (0.42)
SCHEMBL15632857 0.77 BBOX1 (0.34)
Methyl Alcohol SCHEMBL6178733 0.76 ALDH1A1 (0.45)
Methyl Alcohol SCHEMBL6195885 0.76 ALDH1A1 (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805065-A Preparation method of oxalyl chloride monoester 阜新孚隆宝医药科技有限公司 2022-07-29 CN disclosed
US-8425867-B2 Oxalate sorbents for mercury removal EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-04-23 US disclosed
WO-2013025197-A1 OXALATE SORBENTS FOR MERCURY REMOVAL EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2013-02-21 WO disclosed
US-20130045149-A1 OXALATE SORBENTS FOR MERCURY REMOVAL Empire Technology Developement LLC 2013-02-21 US disclosed
US-7858661-B2 Protein refolding agent and refolding method SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2010-12-28 US disclosed
US-20100168403-A1 Protein refolding agent and refolding method YAMAGUCHI SHUNICHLRO 2010-07-01 US disclosed
US-20090111971-A1 PROTEIN REFOLDING AGENT AND REFOLDING METHOD SANYO CHEMICAL INDUSTRIES, LTD. (JP) 2009-04-30 US disclosed
CN-1113852-C Preparation of dialkyl carbonate UBE INDUSTRIES (JP) 2003-07-09 CN disclosed
EP-0916645-B1 Preparation of dialkyl carbonate UBE INDUSTRIES (JP) 2003-04-02 EP disclosed
CN-1386783-A Use of dehydrogenated metallic abietate CHINESE ACAD INST CHEMISTRY (CN) 2002-12-25 CN disclosed
US-5973184-A CATALYST SELECTIVITY IN PRESENCE OF AN ALKALI METAL COMPOUND CATALYST UBE INDUSTRIES, LTD. (JP) 1999-10-26 US disclosed
CN-1221732-A Preparation of dialkyl carbonate UBE INDUSTRIES (JP) 1999-07-07 CN disclosed
EP-0916645-A1 Preparation of dialkyl carbonate UBE INDUSTRIES, LTD. (JP) 1999-05-19 EP disclosed