SCHEMBL1664017

SCHEMBL1664017

CC(C)COCc1ccc(C=O)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
ALOX5 P09917 2/20 0.35
TP53 P04637 2/20 0.34
MDM2 Q00987 1/20 0.34
POLB P06746 6/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 4/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
HSP90AA1 P07900 1/20 0.33
STAT1 P42224 1/20 0.31
ELANE P08246 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4311655 0.87 ALDH1A1 (0.50) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL2801305 0.84 ALDH1A1 (0.46) ALDH1A1TSHRHTTL3MBTL1GAA
Aes-103 SCHEMBL3053025 0.84 ALDH1A1 (0.69) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL278333 0.84 ALDH1A1 (0.61) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL273028 0.81 ALDH1A1 (0.53) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL17693406 0.80 ALDH1A1 (0.57) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL4301179 0.80 ALDH1A1 (0.53) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL3058101 0.79 ALDH1A1 (0.52) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL3057793 0.79 ALDH1A1 (0.41) ALDH1A1TSHRHTTL3MBTL1GAA
SCHEMBL2902789 0.79 ALDH1A1 (0.41) ALDH1A1TSHRHTTL3MBTL1GAA

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-20100218416-A1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2010-09-02 US claimed
EP-2197867-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030506-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed
CN-101809010-B Hydroxymethylfurfural ethers from sugars or HMF and mixed alcohols FURANIX TECHNOLOGIES BV 2013-01-16 CN disclosed
EP-2197868-B1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND MIXED ALCOHOLS FURANIX TECHNOLOGIES BV (NL) 2011-04-27 EP disclosed
CN-101809010-A hydroxymethylfurfural ethers from sugars or hmf and mixed alcohols FURANIX TECHNOLOGIES BV 2010-08-18 CN disclosed
EP-2197868-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND MIXED ALCOHOLS Furanix Technologies B.V (NL) 2010-06-23 EP disclosed
US-20100058650-A1 For example, 5-ethoxymethylfurfural; use of mixed alcohols in reaction mixture to prevent product crystallization; end use as renewable biofuel or fuel additive, or as renewable raw material to make monomers such as furandicarboxylic acid FURANIX TECHNOLOGIES B.V. (NL) 2010-03-11 US disclosed
WO-2009030508-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND MIXED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO disclosed