SCHEMBL6027783

SCHEMBL6027783

[Na+].[O-]C(F)(C(F)F)C(F)(F)F

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
SCHEMBL15540713 0.93
SCHEMBL5837291 0.93
SCHEMBL11800355 0.93
Lithium Ion SCHEMBL2932507 0.93
SCHEMBL11799384 0.93
SCHEMBL10938587 0.93
Trifluoromethanesulfonic Acid SCHEMBL7089319 0.76 GPR3 (0.31)
SCHEMBL31070980 0.72
Potassium Ion SCHEMBL31070977 0.65
Lithium Ion SCHEMBL28434629 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114221033-A Electrolyte for sodium ion battery and sodium ion battery containing electrolyte 湖南钠方新能源科技有限责任公司 2022-03-22 CN claimed
CN-112812079-A Synthesis method of hexafluoroisopropyl glycidyl ether 山东东岳未来氢能材料股份有限公司 2021-05-18 CN claimed
EP-0198980-B1 METHOD FOR MAKING SODIUM-CONTAINING GLASS OR CERAMIC Corning Glass Works (US) 1992-02-12 EP claimed
US-4645524-A VAPOR DEPOSITION USING SODIUM FLUOROALKOXIDE CORNING GLASS WORKS (US) 1987-02-24 US claimed
EP-0198980-A2 Method for making sodium-containing glass or ceramic Corning Glass Works (US) 1986-10-29 EP claimed
CN-114890875-A Preparation method of sevoflurane 山东华安新材料有限公司 2022-08-12 CN disclosed
CN-114221033-A Electrolyte for sodium ion battery and sodium ion battery containing electrolyte 湖南钠方新能源科技有限责任公司 2022-03-22 CN disclosed
CN-112812079-A Synthesis method of hexafluoroisopropyl glycidyl ether 山东东岳未来氢能材料股份有限公司 2021-05-18 CN disclosed
US-6994800-B1 Liquid precursors for formation of materials containing alkali metals PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2006-02-07 US disclosed
WO-2000067300-A1 LIQUID PRECURSORS FOR FORMATION OF MATERIALS CONTAINING ALKALI METALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-11-09 WO disclosed
EP-0198980-B1 METHOD FOR MAKING SODIUM-CONTAINING GLASS OR CERAMIC Corning Glass Works (US) 1992-02-12 EP disclosed
US-4645524-A VAPOR DEPOSITION USING SODIUM FLUOROALKOXIDE CORNING GLASS WORKS (US) 1987-02-24 US disclosed
EP-0198980-A2 Method for making sodium-containing glass or ceramic Corning Glass Works (US) 1986-10-29 EP disclosed
US-4079039-A POLYBENZIMIDAZOLES, N-HETEROCYCLIC HORIZONS RESEARCH INCORPORATED (US) 1978-03-14 US disclosed