SCHEMBL21034672

SCHEMBL21034672

C=C(F)COC(=O)C(=O)OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
FABP7 O15540 1/20 0.33
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL22319222 0.84 TSHR (0.31) ALDH1A1TSHR
SCHEMBL22666422 0.84
SCHEMBL1143909 0.82 HTT (0.59) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL1122824 0.80 HTT (0.48) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL8399675 0.76 HTT (0.48) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL21224187 0.75
SCHEMBL22319231 0.74 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL21034109 0.74 ALDH1A1 (0.47) ALDH1A1MEN1TSHRKMT2AHSD17B10
SCHEMBL36595 0.74 TSHR (0.48) HTTFABP7ALDH1A1MEN1TSHR
SCHEMBL10990951 0.74 HTT (0.46) HTTFABP7

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
WO-2019102782-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM-ION SECONDARY BATTERY, AND MODULE ダイキン工業株式会社 2019-05-31 WO disclosed