SCHEMBL9550932

SCHEMBL9550932

CC(C)(C)OOC(=O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DGAT1 O75907 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
SCHEMBL31253439 0.83
SCHEMBL25887350 0.80 TSHR (0.36) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL15165 0.78 TSHR (0.41) TSHRTDP1ALDH1A1HSD17B10DGAT1
SCHEMBL2589198 0.77 ALDH1A1 (0.34) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL8386054 0.77 ALDH1A1 (0.34) TSHRTDP1ALDH1A1HSD17B10
SCHEMBL3500822 0.76 CA2 (0.35)
SCHEMBL4679417 0.76 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10DGAT1
Methyl Alcohol SCHEMBL28449343 0.76 TSHR (0.40) TSHRTDP1ALDH1A1HSD17B10DGAT1
SCHEMBL17219115 0.74 TSHR (0.39) TSHRTDP1ALDH1A1HSD17B10DGAT1
SCHEMBL9402916 0.74 TSHR (0.43) TSHRTDP1ALDH1A1HSD17B10DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5247067-A Polypeptides for hepatitis antigens KURARAY CO., LTD. (JP) 1993-09-21 US disclosed