SCHEMBL9006532

SCHEMBL9006532

FC(F)=C(F)Oc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
NQO2 P16083 1/20 0.49
CYP1A2 P05177 1/20 0.47
AHR P35869 1/20 0.46
CYP1A1 P04798 2/20 0.46
CYP1B1 Q16678 2/20 0.46
MAOB P27338 2/20 0.46
PPARA Q07869 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HDAC3 O15379 1/20 0.44
ADAM17 P78536 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL9006536 1.00 PTGS1 (0.54) PTGS1NQO2CYP1A2AHRCYP1A1
SCHEMBL9006545 0.88 CYP1A2 (0.69) CYP1A2CYP1A1CYP1B1MAOBPPARA
SCHEMBL9006549 0.88 CYP1A2 (0.69) CYP1A2CYP1A1CYP1B1MAOBPPARA
SCHEMBL9006467 0.87 KDM4E (0.44) PTGS1NQO2CYP1A2AHRCYP1A1
SCHEMBL9006474 0.87 KDM4E (0.44) PTGS1NQO2CYP1A2AHRCYP1A1
SCHEMBL9006732 0.82 CYP1A2 (0.60) CYP1A2CYP1A1CYP1B1MAOBPPARA
SCHEMBL9006726 0.82 CYP1A2 (0.60) CYP1A2CYP1A1CYP1B1MAOBPPARA
SCHEMBL9006778 0.80 NFE2L2 (0.55) PTGS1NQO2
SCHEMBL9006417 0.80 APP (0.50) PTGS1NQO2CYP1A2CYP1A1CYP1B1
SCHEMBL9006421 0.80 APP (0.50) PTGS1NQO2CYP1A2CYP1A1CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US claimed
EP-0676062-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1995-10-11 EP claimed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US claimed
WO-1994015258-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1994-07-07 WO claimed
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US disclosed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US disclosed