Aes-103

Aes-103

SCHEMBL2801417

CC(C)(C)OC(C)(C)C.O=Cc1ccc(CO)o1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.73
TSHR P16473 2/20 0.73
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 4/20 0.37
GAA P10253 1/20 0.37
G6PC1 P35575 1/20 0.36
KDM4E B2RXH2 5/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 3/20 0.35
RAB9A P51151 3/20 0.35
HSP90AA1 P07900 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 3/20 0.35
HPGD P15428 2/20 0.35
TP53 P04637 1/20 0.35
STAT1 P42224 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
Aes-103 SCHEMBL2800245 0.86 ALDH1A1 (0.67) ALDH1A1TSHRL3MBTL1HTTTDP1
Aes-103 SCHEMBL31307749 0.86
Aes-103 SCHEMBL17513182 0.84 ALDH1A1 (0.88) ALDH1A1TSHRL3MBTL1HTTTDP1
Aes-103 SCHEMBL31307061 0.84 ALDH1A1 (0.96) ALDH1A1TSHRL3MBTL1HTTTDP1
Aes-103 SCHEMBL1248422 0.84 ALDH1A1 (0.96) ALDH1A1TSHRL3MBTL1HTTTDP1
Aes-103 SCHEMBL28986200 0.84 ALDH1A1 (0.96) ALDH1A1TSHRL3MBTL1HTTTDP1
Aes-103 SCHEMBL17872171 0.84 ALDH1A1 (0.96) ALDH1A1TSHRL3MBTL1HTTTDP1
Aes-103 SCHEMBL28624601 0.84
Aes-103 SCHEMBL29399464 0.84 ALDH1A1 (0.96) ALDH1A1TSHRL3MBTL1HTTTDP1
Aes-103 SCHEMBL29742366 0.84 ALDH1A1 (0.96) ALDH1A1TSHRL3MBTL1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197867-B1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES BV (NL) 2016-03-02 EP claimed
US-20100218416-A1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2010-09-02 US claimed
US-20100212217-A1 Reacting 5-hydroxymethylfurfural and olefin with acid catalyst; use as biofuel or renewable fuel additive; e.g. 5-(hydroxymethyl)furfural tert-butyl ether FURANIX TECHNOLOGIES B.V. (NL) 2010-08-26 US claimed
EP-2197865-A2 HYDROXYMETHYLFURFURAL ETHERS FROM HMF AND OLEFINS Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030505-A2 HYDROXYMETHYLFURFURAL ETHERS FROM HMF AND OLEFINS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed