Ether

Ether

SCHEMBL7994677

CCCCCCCCCCCCOS(=O)(=O)[O-].CCOCC.[Li+]

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

S1PR1S1PR2S1PR3S1PR4S1PR5rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Ether. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.78
TSHR P16473 2/20 0.78
GLA P06280 1/20 0.78
HPGD P15428 1/20 0.78
MAPK1 P28482 1/20 0.78
EPHX2 P34913 1/20 0.78
BLM P54132 1/20 0.78
CA1 P00915 11/20 0.52
CA2 P00918 11/20 0.52
CA9 Q16790 9/20 0.52
CA12 O43570 3/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA3 P07451 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CES2 O00748 1/20 0.41
KDM4E B2RXH2 1/20 0.37

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
Ether SCHEMBL15283 0.96 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL831819 0.96 RECQL (0.78) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL7537883 0.96 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL7537830 0.96 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Octadecyl Sulfate SCHEMBL9771950 0.96 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL23674209 0.96 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL11022896 0.96 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL18315185 0.96 RECQL (0.78) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL21641350 0.96 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL355997 0.96 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114287075-A Conductive composition for secondary battery 广东省皓智科技有限公司 2022-04-05 CN claimed
CN-114287075-A Conductive composition for secondary battery 广东省皓智科技有限公司 2022-04-05 CN disclosed
US-6284435-B1 FOR SOLID STATE ELECTRICAL DEVICES SUCH AS LIGHT-EMITTING DIODES UNIAX CORPORATION 2001-09-04 US disclosed
US-5965281-A THE ADDITION OF A HIGHLY POLARIZABLE ADDITIVE, AN ORGANIC ANIONIC SURFACTANT, TO AN ELECTROLUMINESCENT CONJUGATED ORGANIC POLYMER TO IMPROVE THE EXTERNAL EFFICIENCY AND BRIGHTNESS VERSUS VOLTAGE RATIO AND ELECTRON INJECTION UNIAX CORPORATION (US) 1999-10-12 US disclosed
EP-0440362-B1 2,2-Dimethyl-1-nitrilo or 2,2-dimethyl-1-hydroxylamino-3-(alkyl phenyl)substituted propanes or 2-methyl-1-nitrilo-or 2-methyl-1-hydroxylamino-3-(methoxyphenyl) propane, organoleptic uses thereof and processes for preparing same INT FLAVORS & FRAGRANCES INC (US) 1996-04-03 EP disclosed
EP-0531636-B1 Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INT FLAVORS & FRAGRANCES INC (US) 1995-10-18 EP disclosed
EP-0347596-B1 Bleaching composition INT FLAVORS & FRAGRANCES INC (US) 1995-07-12 EP disclosed
EP-0383446-B1 2,4,4-Trisubstituted tetrahydropyranyl esters and organoleptic uses thereof INT FLAVORS & FRAGRANCES INC (US) 1995-05-03 EP disclosed
US-5236897-A Reacting isobutyronitrile with 2- or 4-vinyl pyridine; augments and enhances aromas INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-08-17 US disclosed
EP-0531636-A1 Process for preparing phenyl butyronitriles and perfumery use of 2,2-dimethyl-4-phenyl valeronitrile INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1993-03-17 EP disclosed
EP-0383446-A2 2,4,4-Trisubstituted tetrahydropyranyl esters and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-08-22 EP disclosed
EP-0347596-A2 Bleaching composition INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1989-12-27 EP disclosed
US-4863631-A Dimethyl substituted alkyl nitriles, perfume and bleach compositions containing same organoleptic uses thereof and process intermediates for producing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1989-09-05 US disclosed
US-4822515-A Ethyl norbornyl alkyl ethers, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1989-04-18 US disclosed
US-4772411-A ETHYL TRICYCLOHEPTYL ALKYL ETHERS, BLEACHES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-09-20 US disclosed
EP-0042734-B1 OLEFIN DIMERS, DERIVATIVES THEREOF AND ORGANOLEPTIC USES THEREOF INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1985-03-20 EP disclosed
US-4390448-A Perfumed stable aqueous hypochlorite bleach compositions containing 2-methyl-2-octanol and thickened variation thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-06-28 US disclosed
US-4342663-A Use of mixture of aliphatic C10 branched olefins in augmenting or enhancing the aroma of articles subjected to action of aqueous hypochlorites INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1982-08-03 US disclosed
US-4330425-A Use of mixture of aliphatic C10 branched olefin epoxides in augmenting or enhancing the aroma of articles subjected to action of aqueous hypochlorites INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-18 US disclosed
EP-0042734-A2 Olefin dimers, derivatives thereof and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-30 EP disclosed