SCHEMBL5167544

SCHEMBL5167544

COC(C)OC.O=Cc1cc(F)c(F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERN1 O75460 10/20 0.34
PRKDC P78527 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
TYR P14679 2/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 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
SCHEMBL295466 0.82 ERN1 (0.43) TDP1ERN1
SCHEMBL5169305 0.81 LMNA (0.40) ALDH1A1ERN1
SCHEMBL5167620 0.79 ALDH1A1 (0.37) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL10861831 0.75 ERN1 (0.46) ALDH1A1TSHRTDP1ERN1
SCHEMBL10859526 0.74 NFE2L2 (0.44) ALDH1A1TSHRTDP1ERN1SMN1; SMN2
SCHEMBL8807529 0.71 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1ERN1PRKDC
SCHEMBL5166895 0.71 CYP1A2 (0.31) ERN1
SCHEMBL4655024 0.71 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL310426 0.71 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1ERN1
SCHEMBL27306404 0.71 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRTDP1ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1182184-B1 PROCESS FOR PRODUCING TETRAFLUORO BENZENECARBALDEHYDES AND TETRAFLUORO BENZENEMETHANOLS SHOWA DENKO KK (JP) 2007-04-18 EP claimed
US-6624336-B1 Acetalization of tetrafluorobenzonitriles using alcohols, in the presence of mineral acids and metal catalysts to form chemical intermediates for nontoxic insecticides SHOWA DENKO K.K. (JP) 2003-09-23 US claimed
EP-1182184-A1 PROCESS FOR PRODUCING TETRAFLUORO BENZENEMETHANOLS Showa Denko K K (JP) 2002-02-27 EP claimed
EP-1182184-B1 PROCESS FOR PRODUCING TETRAFLUORO BENZENECARBALDEHYDES AND TETRAFLUORO BENZENEMETHANOLS SHOWA DENKO KK (JP) 2007-04-18 EP disclosed
CN-1237037-C Process for producing tetrafluoro benzenemethanols SHOWA DENKO KK (JP) 2006-01-18 CN disclosed
US-6624336-B1 Acetalization of tetrafluorobenzonitriles using alcohols, in the presence of mineral acids and metal catalysts to form chemical intermediates for nontoxic insecticides SHOWA DENKO K.K. (JP) 2003-09-23 US disclosed
US-6624336-B1 Acetalization of tetrafluorobenzonitriles using alcohols, in the presence of mineral acids and metal catalysts to form chemical intermediates for nontoxic insecticides SHOWA DENKO K.K. (JP) 2003-09-23 US disclosed
CN-1349484-A Process for producing tetrafluorobenzyl alcohol SHOWA DENKO KK (JP) 2002-05-15 CN disclosed
EP-1182184-A1 PROCESS FOR PRODUCING TETRAFLUORO BENZENEMETHANOLS Showa Denko K K (JP) 2002-02-27 EP disclosed
EP-1182184-A1 PROCESS FOR PRODUCING TETRAFLUORO BENZENEMETHANOLS Showa Denko K K (JP) 2002-02-27 EP disclosed