Aes-103

Aes-103

SCHEMBL2902667

CCCCCCCC/C=C\CCCCCCCCOCCCCCCCC/C=C\CCCCCCCC.O=Cc1ccc(CO)o1

nearest known ligand 0.55

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Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
EPHX2 P34913 1/20 0.47
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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 SCHEMBL2902673 1.00 ALDH1A1 (0.55) ALDH1A1TSHREPHX2CNR1CNR2
Aes-103 SCHEMBL2899876 0.98 ALDH1A1 (0.52) ALDH1A1TSHREPHX2CNR1CNR2
Aes-103 SCHEMBL2900093 0.94 ALDH1A1 (0.63) ALDH1A1TSHREPHX2
Aes-103 SCHEMBL2894582 0.94 ALDH1A1 (0.63) ALDH1A1TSHREPHX2
Aes-103 SCHEMBL2899976 0.94 ALDH1A1 (0.63) ALDH1A1TSHREPHX2
Aes-103 SCHEMBL2896613 0.94 ALDH1A1 (0.63) ALDH1A1TSHREPHX2
Aes-103 SCHEMBL2893335 0.90 ALDH1A1 (0.52) ALDH1A1TSHREPHX2
SCHEMBL2902670 0.87 EPHX2 (0.46) ALDH1A1TSHREPHX2
SCHEMBL2894592 0.87 EPHX2 (0.46) ALDH1A1TSHREPHX2
SCHEMBL14715663 0.87 EPHX2 (0.46) ALDH1A1TSHREPHX2

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
EP-2197866-B1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES BV (NL) 2013-02-27 EP claimed
US-20100218415-A1 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2010-09-02 US claimed
EP-2197866-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030507-A2 HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS AND HIGHER ALCOHOLS FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed