SCHEMBL5249209

SCHEMBL5249209

C=C(C)C(=O)OC(C)[C](C)C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.46
THRB P10828 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL1755554 0.85 TSHR (0.46) TSHRALDH1A1THRBTDP1HSD17B10
SCHEMBL9323497 0.85 TSHR (0.46) TSHRALDH1A1THRBTDP1HSD17B10
SCHEMBL9842552 0.83 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL6695785 0.83 TSHR (0.45) TSHRALDH1A1THRBTDP1
SCHEMBL526912 0.83 TSHR (0.45) TSHRALDH1A1THRBTDP1
Methyl Alcohol SCHEMBL28174876 0.81 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL3987277 0.81 TSHR (0.43) TSHRALDH1A1THRBTDP1
SCHEMBL28212764 0.81 TSHR (0.43) TSHRALDH1A1THRBTDP1
Ammonia Solution, Strong SCHEMBL18138980 0.81 TSHR (0.43) TSHRALDH1A1THRBTDP1
Lithium Ion SCHEMBL18139256 0.79 TSHR (0.42) TSHRALDH1A1THRB

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-1325815-B1 Ink-jet recording sheet FUJIFILM CORP (JP) 2007-09-12 EP disclosed
EP-1490359-A4 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE SENSORS FOR MED & SCIENCE INC (US) 2006-08-23 EP disclosed
EP-1490359-A1 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE Sensors for Medicine and Science, Inc. (US) 2004-12-29 EP disclosed
US-6656595-B2 Applicable to water-based paint/automotive finish KANSAI PAINT CO., LTD. (JP) 2003-12-02 US disclosed
WO-2003078424-A1 DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE SENSORS FOR MEDICINE AND SCIENCE, INC. (US) 2003-09-25 WO disclosed