SCHEMBL9545989

SCHEMBL9545989

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL9546037 0.94 TSHR (0.42) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL9578307 0.94 TSHR (0.42) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL13414938 0.86 TSHR (0.36) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL9578404 0.84 TSHR (0.35) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL2367786 0.83 TSHR (0.35) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL2367780 0.83 TSHR (0.35) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL3979865 0.82 TSHR (0.38) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL183807 0.81 TSHR (0.42) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL3408391 0.81 TSHR (0.37) TSHRUSP2MAPTKDM4ETDP1
SCHEMBL12636016 0.81 TSHR (0.37) TSHRUSP2MAPTKDM4ETDP1

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
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