SCHEMBL4390413

SCHEMBL4390413

CCC(C)(OO)OOC(C)(CCCCC(C)=O)OO

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
PAOX Q6QHF9 1/20 0.34
GAA P10253 1/20 0.33
ACHE P22303 1/20 0.31
ALDH1A1 P00352 2/20 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
Butanone SCHEMBL8530458 0.79 TSHR (0.73) TSHRGAAALDH1A1
SCHEMBL7948509 0.79 TSHR (0.46) TSHRGAAALDH1A1
SCHEMBL11313847 0.76 TSHR (0.67) TSHRGAAALDH1A1
Ethaneperoxoic Acid SCHEMBL11256563 0.75 TSHR (0.73) TSHRGAAALDH1A1
SCHEMBL28212951 0.74 TSHR (1.00) TSHRALDH1A1
SCHEMBL15306 0.74 TSHR (1.00) TSHRALDH1A1
SCHEMBL7934746 0.73 TSHR (0.54) TSHR
Hydrogen Peroxide SCHEMBL11767460 0.72 TSHR (0.94) TSHRALDH1A1
SCHEMBL1928722 0.72 TSHR (0.94) TSHRALDH1A1
SCHEMBL10420326 0.72 TSHR (0.94) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629400-B2 Image making medium HYMAN SYDNEY 2009-12-08 US disclosed
US-20030035917-A1 Image making medium HYMAN SYDNEY (US) 2003-02-20 US disclosed