Ether

Ether

SCHEMBL7537830

CCCCCCCCCCOS(=O)(=O)[O-].CCOCC.[Na+]

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
CA1 known ✓ P00915 10/20 0.52
CA2 known ✓ P00918 10/20 0.52
CA12 known ✓ O43570 3/20 0.52
CA4 known ✓ P22748 2/20 0.52
FGF1 known ✓ P05230 3/20 0.39
RECQL P46063 2/20 0.85
TSHR P16473 2/20 0.85
GLA P06280 1/20 0.85
HPGD P15428 1/20 0.85
MAPK1 P28482 1/20 0.85
EPHX2 P34913 1/20 0.85
BLM P54132 1/20 0.85
CA9 Q16790 8/20 0.52
CA7 P43166 3/20 0.52
CA14 Q9ULX7 3/20 0.52
CA3 P07451 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

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 SCHEMBL11756362 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL1978126 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL7537883 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL15283 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL355997 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL23674209 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Octadecyl Sulfate SCHEMBL9771950 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL11022896 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL21641350 1.00 RECQL (0.85) RECQLTSHRGLAHPGDMAPK1
Ether SCHEMBL324781 1.00 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020223168-A1 COMPOSITIONS AND METHODS FOR REMOVING SEMI-PERMANENT HAIR DYES L'OREAL (FR) 2020-11-05 WO claimed
US-20200345606-A1 COMPOSITIONS AND METHODS FOR REMOVING SEMI-PERMANENT HAIR DYES L'OREAL (FR) 2020-11-05 US claimed
US-20120189956-A1 SOLVENT-FREE TONER PROCESSES XEROX CORPORATION (US) 2012-07-26 US claimed
WO-2023159563-A1 COMPOSITION FOR SKIN CARE AND/OR CLEANSING L'OREAL (FR) 2023-08-31 WO disclosed
CN-110383171-B Photosensitive resin composition for flexographic printing plate, flexographic printing original plate, flexographic printing plate, and copolymer 旭化成株式会社 2023-07-28 CN disclosed
US-20210369582-A1 METHODS AND COMPOSITIONS FOR REMOVING COLOR FROM COLOR-TREATED HAIR L'OREAL (FR) 2021-12-02 US disclosed
US-11173102-B1 Methods and compositions for removing color from color-treated hair L'OREAL (FR) 2021-11-16 US disclosed
US-11154479-B1 Methods of removing color from color-treated hair L'OREAL (FR) 2021-10-26 US disclosed
WO-2020223168-A1 COMPOSITIONS AND METHODS FOR REMOVING SEMI-PERMANENT HAIR DYES L'OREAL (FR) 2020-11-05 WO disclosed
US-20200345606-A1 COMPOSITIONS AND METHODS FOR REMOVING SEMI-PERMANENT HAIR DYES L'OREAL (FR) 2020-11-05 US disclosed
US-20120189956-A1 SOLVENT-FREE TONER PROCESSES XEROX CORPORATION (US) 2012-07-26 US 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-4818523-A LAURYL TRIMETHYL AMMONIUM CHLORIDE, ALKANOLS, CYCLIC OR LINEAR SILICONES; STABILITY COLGATE-PALMOLIVE COMPANY (US) 1989-04-04 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200345606-A1 COMPOSITIONS AND METHODS FOR REMOVING SEMI-PERMANENT HAIR DYES CYCS, TYR, DNMT1 CA1 876/4885CA2 716/4885CA12 128/4885
US-11173102-B1 Methods and compositions for removing color from color-treated hair TYR, POLR1C, CYCS CA1 821/4885CA2 202/4885CA12 70/4885
US-11154479-B1 Methods of removing color from color-treated hair TYR, IK, HLA-C CA1 811/4885CA2 181/4885CA12 78/4885
US-20210369582-A1 METHODS AND COMPOSITIONS FOR REMOVING COLOR FROM COLOR-TREATED HAIR TYR, POLR1C, CYCS CA1 821/4885CA2 202/4885CA12 70/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.