SCHEMBL7071034

SCHEMBL7071034

O=C(O)C(F)=Cc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.50
HSD11B1 P28845 1/20 0.47
PTGS2 P35354 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
AKR1C3 P42330 1/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
FBP1 P09467 1/20 0.44
TNFRSF1A P19438 1/20 0.42
NFE2L2 Q16236 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL7067160 1.00 ALDH1A1 (0.51) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL8387734 0.83 KDM4E (0.53) ALDH1A1MEN1KMT2AHSD11B1PTGS2
SCHEMBL8387737 0.83 KDM4E (0.53) ALDH1A1MEN1KMT2AHSD11B1PTGS2
SCHEMBL3716652 0.82 AKR1C3 (0.56) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL211524 0.82 AKR1C3 (0.56) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL2914673 0.82 AKR1C3 (0.56) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL207767 0.81 ALDH1A1 (0.54) ALDH1A1HTTMEN1KMT2AAKR1C2
SCHEMBL7071605 0.81 AKR1C3 (0.45) MEN1KMT2AAKR1C3MAPTLMNA
SCHEMBL7071418 0.81 AKR1C3 (0.46) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL7609031 0.81 AKR1C3 (0.45) MEN1KMT2AAKR1C3MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946492-B1 NOVEL 2-FLUOROACRYLIC ACID DERIVATIVES, NOVEL MIXTURES OF HERBICIDES AND ANTIDOTES AND THE USE THEREOF BAYER CROPSCIENCE GMBH (DE) 2003-06-18 EP claimed
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US claimed
CN-119306689-A Method for synthesizing olefin and fluoroolefin 滁州学院 2025-01-14 CN disclosed
CN-114957170-B Ether compound ortho carbon-hydrogen bond direct monofluoroalkenyl reaction 滁州学院 2024-05-24 CN disclosed
CN-117603252-A Synthesis method of fluorine alkenyl germanium 滁州学院 2024-02-27 CN disclosed
CN-116986969-A Synthesis method of fluoroallyl alcohol 滁州学院 2023-11-03 CN disclosed
CN-116496316-A Method for synthesizing fluorine alkenyl phosphorus 滁州学院 2023-07-28 CN disclosed
CN-116410218-A Synthesis method of monofluoro alkenyl silicon 滁州学院 2023-07-11 CN disclosed
CN-116178148-A Molecular design synthesis for inhibiting kallikrein activity 滁州学院 2023-05-30 CN disclosed
CN-114957170-A Direct monofluoroolefination reaction of ether compound ortho-position carbon-hydrogen bond 滁州学院 2022-08-30 CN disclosed
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US disclosed