SCHEMBL10168289

SCHEMBL10168289

C=C(C)C(=O)OCC(C)COC(=O)COCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 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
SCHEMBL3319370 0.81 TSHR (0.75) TSHRTHRBALDH1A1TDP1
SCHEMBL10168226 0.81 TSHR (0.55) TSHRTHRBALDH1A1TDP1
SCHEMBL20001266 0.79 TSHR (0.72) TSHRTHRBALDH1A1TDP1
SCHEMBL10168244 0.78 TSHR (0.51) TSHRTHRBALDH1A1TDP1
SCHEMBL10168229 0.78 TSHR (0.51) TSHRTHRBALDH1A1TDP1
SCHEMBL20006488 0.78 TSHR (0.64) TSHRTHRBALDH1A1TDP1
SCHEMBL10168326 0.78 TSHR (0.44) TSHRTHRBALDH1A1
SCHEMBL15372542 0.76 TSHR (0.62) TSHRTHRBALDH1A1TDP1
SCHEMBL10168300 0.76 TSHR (0.53) TSHRTHRBALDH1A1TDP1
SCHEMBL13863994 0.76 TSHR (0.44) TSHRALDH1A1TDP1

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-8529803-B2 Curable coloring composition, color filter and method for producing same, and quinophthalone dye FUJIFILM CORPORATION (JP) 2013-09-10 US disclosed
US-20120112142-A1 CURABLE COLORING COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING SAME, AND QUINOPHTHALONE DYE FUJIFILM CORPORATION (JP) 2012-05-10 US disclosed