SCHEMBL9167461

SCHEMBL9167461

Nc1ccc(OC(F)=C(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.46
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.42
MAOA P21397 2/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
GFER P55789 2/20 0.39
THRB P10828 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
BLM P54132 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAOB P27338 2/20 0.38
TEAD4 Q15561 1/20 0.38
PARP10 Q53GL7 1/20 0.38
F2 P00734 2/20 0.37

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
SCHEMBL4530562 0.87 RAB9A (0.35) TDP1ALDH1A1MAPTKMT2AMEN1
SCHEMBL12833375 0.80 KIF11 (0.39) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL12833374 0.80 KMT2A (0.43) TDP1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL8934991 0.80 KIF11 (0.39) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL1505815 0.80 KIF11 (0.39) MAPK1GAAKDM4EKMT2AMEN1
SCHEMBL9006512 0.80 F3 (0.50) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9006517 0.80 F3 (0.50) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9006784 0.79 ESR1 (0.45) ALDH1A1MAPTGFERKDM4EKMT2A
SCHEMBL9006659 0.79 ESR1 (0.45) ALDH1A1MAPTGFERKDM4EKMT2A
SCHEMBL9006776 0.79 ESR1 (0.45) ALDH1A1MAPTGFERKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994025505-A1 PERFLUOROCYCLOBUTANE RING-CONTAINING POLYIMIDES THE DOW CHEMICAL COMPANY (US) 1994-11-10 WO claimed
US-20110080547-A1 LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY EAST INC. (JP) 2011-04-07 US disclosed
US-20110080547-A1 LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY EAST INC. (JP) 2011-04-07 US disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 WO disclosed
EP-0428709-B1 REACTIVE COMPOUNDS CONTAINING PERFLUOROVINYL GROUPS DOW CHEMICAL CO (US) 1995-05-24 EP disclosed
US-5364917-A Perfluorocyclobutane ring-containing polymers THE DOW CHEMICAL COMPANY (US) 1994-11-15 US disclosed
WO-1994025505-A1 PERFLUOROCYCLOBUTANE RING-CONTAINING POLYIMIDES THE DOW CHEMICAL COMPANY (US) 1994-11-10 WO disclosed
US-5210265-A Multistage reaction to form monomers for polymers such as polyesters by dimerization of trifluorovinyl compounds by dehalogenation and cyclization THE DOW CHEMICAL COMPANY (US) 1993-05-11 US disclosed
US-5198513-A Compounds for engineering thermoplastics or dimers THE DOW CHEMICAL COMPANY (US) 1993-03-30 US disclosed
US-5037919-A Endcapper for polyesters, polycarbonates, polyamides and polyethers THE DOW CHEMICAL COMPANY (US) 1991-08-06 US disclosed
EP-0429618-A1 REACTIVE COMPOUNDS CONTAINING PERFLUOROCYCLOBUTANE RINGS THE DOW CHEMICAL COMPANY (US) 1991-06-05 EP disclosed
US-5021602-A Monomers for condensation polymers THE DOW CHEMICAL COMPANY (US) 1991-06-04 US disclosed
EP-0428709-A1 REACTIVE COMPOUNDS CONTAINING PERFLUOROVINYL GROUPS. DOW CHEMICAL CO (US) 1991-05-29 EP disclosed
WO-1990015044-A2 REACTIVE COMPOUNDS CONTAINING PERFLUOROCYCLOBUTANE RINGS THE DOW CHEMICAL COMPANY (US) 1990-12-13 WO disclosed
WO-1990015042-A2 REACTIVE COMPOUNDS CONTAINING PERFLUOROVINYL GROUPS THE DOW CHEMICAL COMPANY (US) 1990-12-13 WO disclosed