SCHEMBL3858038

SCHEMBL3858038

O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[H+].[H+].[Na+].[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
SCHEMBL7530399 0.94
SCHEMBL35478 0.94
SCHEMBL1844850 0.94
Silver SCHEMBL524427 0.89
Water SCHEMBL223730 0.89
Potassium Ion SCHEMBL41806 0.89 CA4 (0.31)
SCHEMBL2472591 0.89
Zinc Ion SCHEMBL645391 0.89
SCHEMBL243876 0.89
Lithium Ion SCHEMBL3964639 0.89

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-10315924-B2 CHA type zeolitic materials and methods for their preparation using combinations of cycloalkyl-and tetraalkylammonium compounds BASF SE (DE) 2019-06-11 US disclosed
EP-3152162-B1 CHA TYPE ZEOLITIC MATERIALS AND METHODS FOR THEIR PREPARATION USING COMBINATIONS OF CYCLOHEXYL- AND TETRAMETHYLAMMONIUM COMPOUNDS BASF SE (DE) 2018-12-12 EP disclosed
US-20180186648-A1 CHA TYPE ZEOLITIC MATERIALS AND METHODS FOR THEIR PREPARATION USING COMBINATIONS OF CYCLOALKYL- AND TETRAALKYLAMMONIUM COMPOUNDS BASF MOBILE EMISSIONS CATALYSTS LLC 2018-07-05 US disclosed
CN-106660024-A Cha type zeolitic materials and methods for their preparation using combinations of cycloalkyl- and tetraalkylammonium compounds 巴斯夫欧洲公司 2017-05-10 CN disclosed
EP-3152162-A2 CHA TYPE ZEOLITIC MATERIALS AND METHODS FOR THEIR PREPARATION USING COMBINATIONS OF CYCLOALKYL- AND TETRAALKYLAMMONIUM COMPOUNDS BASF SE (DE) 2017-04-12 EP disclosed
EP-1693431-B1 PUNCTURE SEALANT BRIDGESTONE CORP (JP) 2015-09-30 EP disclosed
US-7589135-B2 Puncture sealing agent BRIDGESTONE CORPORATION (JP) 2009-09-15 US disclosed
US-20070149653-A1 Puncture sealing agent BRIDGESTONE CORPORATION (JP) 2007-06-28 US disclosed
EP-1693431-A1 PUNCTURE SEALANT Bridgestone Corporation (JP) 2006-08-23 EP disclosed