SCHEMBL9546019

SCHEMBL9546019

C=C(CC(F)(F)F)C(=O)OCC(F)(F)C(F)F

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 1/20 0.37
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 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
SCHEMBL9696623 0.86 HTT (0.32) HTT
SCHEMBL9546008 0.83 HTT (0.45) HTT
SCHEMBL9578357 0.82 POLB (0.38) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2367717 0.81 LMNA (0.39) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL2367713 0.81 TSHR (0.43) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL9545989 0.80 TSHR (0.35) LMNATSHRHTTNPSR1TDP1
SCHEMBL2526807 0.79 TSHR (0.37) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL227643 0.78 TSHR (0.47) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL5667653 0.78 TSHR (0.36) ALDH1A1LMNAMAPK1TSHRPOLB
SCHEMBL7169915 0.78 TSHR (0.39) ALDH1A1LMNAMAPK1TSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993023773-A1 PROCESS FOR PREPARATION OF OXYGEN PERMEABLE POLYMER MATERIAL CIBA-GEIGY AG (CH) 1993-11-25 WO disclosed
US-5235013-A Copolymerizing an alkene of 6-10 carbons having one double bond and a side chain methyl group and an acrylic or fluoroacrylic ester CIBA-GEIGY CORPORATION 1993-08-10 US disclosed
EP-0478261-A2 Process for producing oxygen-permeable polymer CIBA-GEIGY AG (CH) 1992-04-01 EP disclosed