SCHEMBL28197856

SCHEMBL28197856

C=C(C)C(=O)OC(=O)C(F)(F)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL1309417 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTDP1HSD17B10
SCHEMBL25279819 0.79 ALDH1A1 (0.41) ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10171085 0.78 THRB (0.49) ALDH1A1TSHRTDP1POLB
SCHEMBL1405131 0.78 PKM (0.38) TSHRTDP1
SCHEMBL4568748 0.74 TSHR (0.40) ALDH1A1TSHR
SCHEMBL12015506 0.72 PKM (0.32)
SCHEMBL28197855 0.72 TSHR (0.39) ALDH1A1TSHRTDP1HSD17B10
SCHEMBL31481614 0.72 ALDH1A1 (0.38) ALDH1A1TSHRTDP1HSD17B10
SCHEMBL493095 0.72 ALDH1A1 (0.46) ALDH1A1TSHRTDP1HSD17B10
SCHEMBL10947925 0.72 PKM (0.39)

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
CN-104181731-B A kind of PDLC light control materials 深圳市奥普利斯光电有限公司 2017-12-29 CN claimed