SCHEMBL20127258

SCHEMBL20127258

Fc1c(F)c(F)c(OCOc2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL28049443 0.87 TSHR (0.31) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL25956457 0.82 TSHR (0.33) TSHRSMN1; SMN2POLBMAPTTDP1
SCHEMBL19303317 0.78 KCNA3 (0.44) CA1CA2
SCHEMBL16351522 0.78 TSHR (0.31) TSHRSMN1; SMN2POLBMAPTTDP1
SCHEMBL17662465 0.76
SCHEMBL20457120 0.76 MEN1 (0.36) MAPT
SCHEMBL14089290 0.74 NQO1 (0.32)
SCHEMBL5557547 0.73 TSHR (0.31) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL2089158 0.73 CA1 (0.36) TSHRSMN1; SMN2CA1CA2CA9
SCHEMBL12232722 0.73 NQO1 (0.36) TSHRSMN1; SMN2CA1CA2CA9

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-20180127543-A1 ORGANIC FLUORINE COMPOUND AND LUBRICANT SHOWA DENKO K.K. (JP) 2018-05-10 US disclosed