SCHEMBL7044800

SCHEMBL7044800

CC(=O)C(C)C(=O)O.CC(=O)CC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KDM6B O15054 1/20 0.37
KDM5C P41229 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
PHF8 Q9UPP1 1/20 0.37
KDM2A Q9Y2K7 1/20 0.37
TP53 P04637 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
HTT P42858 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 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
SCHEMBL28805186 0.86 ALDH1A1 (0.43) ALDH1A1TDP1KDM4EKDM6BKDM5C
SCHEMBL79779 0.86
SCHEMBL5386710 0.86
SCHEMBL701554 0.83 TP53 (0.44) ALDH1A1TDP1TP53RNPEPCYP1A2
SCHEMBL10956052 0.83
SCHEMBL23467150 0.83 TP53 (0.44) ALDH1A1TDP1TP53RNPEPCYP1A2
Ammonia Solution, Strong SCHEMBL14935486 0.83
SCHEMBL15654871 0.83
SCHEMBL7133114 0.83
SCHEMBL10959727 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6808812-B2 MIXTURE OF REACTION PRODUCT OF OXALIC ACID AND ORGANOMETALLIC COMPOUND AND AN ORGANOSILICON COMPOUND ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE (FR) 2004-10-26 US disclosed
EP-1151048-B1 ABRASION-RESISTANT COATING COMPOSITION, PROCESS FOR MAKING SUCH COATING COMPOSITION AND ARTICLE COATED THEREWITH ESSILOR INT (FR) 2002-10-16 EP disclosed
EP-1151048-A1 ABRASION-RESISTANT COATING COMPOSITION, PROCESS FOR MAKING SUCH COATING COMPOSITION AND ARTICLE COATED THEREWITH ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-11-07 EP disclosed
US-20010020080-A1 Abrasion-resistant coating composition, process for making such coating composition and article coated therewith ESSILOR COMPAGNIE GENERALE D'OPTIQUE 2001-09-06 US disclosed
US-6218494-B1 REACTION PRODUCT WITH OXALIC ACID OF AT LEAST ONE ORGANOMETALLIC COMPOUND; EPOXYALKYL ORGANOALKOXYSILANE ESSILOR INTERNATIONAL - COMPAGNIE GENERALE D'OPTIQUE (FR) 2001-04-17 US disclosed
WO-2000029496-A1 ABRASION-RESISTANT COATING COMPOSITION, PROCESS FOR MAKING SUCH COATING COMPOSITION AND ARTICLE COATED THEREWITH ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2000-05-25 WO disclosed