Ether

Ether

SCHEMBL5396604

C=CC.C=CCOC(C)=O.CCOCC.OCCO

nearest known ligand 0.42

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Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TSHR P16473 4/20 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.36
THRB P10828 1/20 0.34
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 3/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30

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 SCHEMBL562465 1.00 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHSD17B10TDP1
Ether SCHEMBL460075 0.96 ALDH1A1 (0.45) ALDH1A1TSHRLMNAHSD17B10TDP1
Ether SCHEMBL131568 0.91 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10TDP1
Ether SCHEMBL7760163 0.89 ALDH1A1 (0.42) ALDH1A1TSHRLMNAHSD17B10TDP1
Ethyl Acetate SCHEMBL3626248 0.87 ALDH1A1 (0.56) ALDH1A1TSHRLMNAHSD17B10THRB
Ethyl Acetate SCHEMBL487488 0.87 ALDH1A1 (0.56) ALDH1A1TSHRLMNAHSD17B10THRB
Ethyl Acetate SCHEMBL20210846 0.87 ALDH1A1 (0.56) ALDH1A1TSHRLMNAHSD17B10THRB
Ethylene Glycol SCHEMBL1075546 0.87 TSHR (0.42) ALDH1A1TSHRLMNAHSD17B10TDP1
2-Ethoxyethanol SCHEMBL413625 0.86 TSHR (0.52) ALDH1A1TSHRLMNAHSD17B10TDP1
Ether SCHEMBL2148363 0.85 THRB (0.50) ALDH1A1TSHRTDP1THRBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1670628-B Resist composition DAICEL CHEM 2011-02-09 CN disclosed
JP-2007231248-A PIGMENT DISPERSION DAICEL CHEM IND LTD 2007-09-13 JP disclosed
JP-2005301210-A RESIST COMPOSITION DAICEL CHEM IND LTD 2005-10-27 JP disclosed
CN-1670628-A Resist composition DAICEL CHEM (JP) 2005-09-21 CN disclosed