SCHEMBL5482700

SCHEMBL5482700

COC(=O)c1c(F)c(F)c(CBr)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
ESR1 P03372 1/20 0.36
ALDH1A1 P00352 1/20 0.34
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GCGR P47871 1/20 0.32
CNR2 P34972 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP3A4 P08684 1/20 0.32
ACHE P22303 1/20 0.32
PKM P14618 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
SCHEMBL1399041 0.90 TSHR (0.46) TSHRMAPK1MAPTRECQLCA12
SCHEMBL522175 0.82 TSHR (0.61) TSHRMAPK1MAPTRECQLCA12
SCHEMBL23169065 0.82 TSHR (0.53) TSHRMAPK1MAPTRECQLCA12
SCHEMBL521688 0.82 TSHR (0.58) TSHRMAPK1MAPTRECQLCA12
SCHEMBL1719721 0.80 TSHR (0.59) TSHRMAPK1MAPTRECQLCA12
SCHEMBL9766021 0.80 TSHR (0.51) TSHRMAPK1MAPTRECQLCA12
SCHEMBL9874822 0.78 TSHR (0.50) TSHRMAPK1MAPTRECQLCA12
SCHEMBL7198377 0.78 TSHR (0.57) TSHRMAPK1MAPTRECQLCA12
SCHEMBL11288719 0.77 TSHR (0.49) TSHRMAPK1MAPTRECQLCA12
SCHEMBL505263 0.77 TSHR (0.52) TSHRMAPK1MAPTRECQLCA12

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486355-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-12-04 US claimed
US-7195835-B2 Proton conducting membrane for fuel cells UCHICAGO ARGONNE, LLC (US) 2007-03-27 US disclosed
US-20060094792-A1 Proton conducting membrane for fuel cells THE UNIVERSITY OF CHICAGO 2006-05-04 US disclosed
US-6977122-B2 Proton conducting membrane for fuel cells THE UNIVERSITY OF CHICAGO (US) 2005-12-20 US disclosed
US-20030035991-A1 Proton conducting membrane for fuel cells THE UNIVERSITY OF CHICAGO 2003-02-20 US disclosed
WO-2002078110-A2 DENDRIMER-CONTAINING PROTON CONDUCTING MEMBRANE FOR FUEL CELLS UNIVERSITY OF CHICAGO (US) 2002-10-03 WO disclosed
EP-0266947-B1 HALOGENATED ESTERS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
EP-0181284-B1 AMINO ACID ESTERS SANDOZ AG (CH) 1990-02-07 EP disclosed
US-4868209-A AGRICULTURAL INSECTICIDES, CYCLOPROPANE CARBOXYLIC ACIDS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-09-19 US disclosed
US-4853414-A 1-/2-ALKOXY-3,5-DIFLUOROBENZYL ESTERS OF 2,2-DIMETHYL-3-ALKYLCYCLOPROPIONIC ACID; INSECTICIDES; PESTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-01 US disclosed
EP-0054360-B1 FLUOROBENZYL CYCLOPROPANE CARBOXYLATES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-06-05 EP disclosed
US-4486355-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-12-04 US disclosed
EP-0032121-B1 SUBSTITUTED TETRAFLUOROBENZYL ALCOHOLS AND HALIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-16 EP disclosed
US-4385070-A CYCLOPROPANE DERIVATIVES AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-24 US disclosed
US-4370346-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-01-25 US disclosed
EP-0060617-A1 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-09-22 EP disclosed
EP-0054360-A2 Fluorobenzyl cyclopropane carboxylates, their preparation, compositions comprising them and their use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-23 EP disclosed
EP-0016513-B1 ESTERS OF HALOGENATED SUBSTITUTED CYCLOPROPANOIC ACIDS, THEIR PREPARATION AND USE AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-23 EP disclosed
EP-0032121-A2 Substituted tetrafluorobenzyl alcohols and halides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-15 EP disclosed
EP-0016513-A2 Esters of halogenated substituted cyclopropanoic acids, their preparation and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-01 EP disclosed