SCHEMBL4648199

SCHEMBL4648199

C/C=C(/C(=O)O)c1ccccc1COc1cccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.39
MRGPRX4 Q96LA9 3/20 0.36
HCRTR2 O43614 5/20 0.36
HCRTR1 O43613 4/20 0.36
P2RX7 Q99572 1/20 0.35
OPRL1 P41146 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HIF1A Q16665 1/20 0.34
SYK P43405 1/20 0.34
FOLH1 Q04609 1/20 0.33

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
SCHEMBL8726616 0.91 TAS2R14 (0.39) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL31287388 0.91 TAS2R14 (0.39) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL1132769 0.90 TAS2R14 (0.37) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL30748265 0.90 TAS2R14 (0.37) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL1132765 0.90 TAS2R14 (0.37) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL5369743 0.89 HIF1A (0.41) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL7783632 0.89 HIF1A (0.41) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL2259595 0.88 HCRTR2 (0.36) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL6159533 0.84 TAS2R14 (0.39) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7
SCHEMBL20552906 0.84 TAS2R14 (0.40) TAS2R14MRGPRX4HCRTR2HCRTR1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1267617-B2 FUNGICIDAL METHOD HERCULES INC (US) 2008-08-20 EP claimed
US-20060159772-A1 Fungicidal compositions ISAGRO S.P.A. (IT) 2006-07-20 US claimed
EP-0946232-B2 CRYSTALLISATION PROCESS SYNGENTA LTD (GB) 2004-07-07 EP claimed
US-6653258-B1 Pyridinyl-substituted- methyl 3-methoxy-2-phenylacrylate derivatives; agricultural miticides and nematocides SYNGENTA LIMITED (GB) 2003-11-25 US claimed
EP-1267617-A2 FUNGICIDAL METHOD HERCULES INCORPORATED (US) 2003-01-02 EP claimed
US-20020108730-A1 FUNGICIDAL METHOD SOLENIS TECHNOLOGIES, L.P. 2002-08-15 US claimed
US-6428654-B1 COMBINING FUNGICIDE COMPRISING STROBILURIN WITH AQUEOUS SYSTEM COMPRISING PAPERMAKING STOCK TANK, PULP REFINER, STOCK CHEST, FLOW BOX, FURNISH OR WET-LAP TO CONTROL GROWTH OF FUNGI OR MILDEW HERCULES INCORPORATED 2002-08-06 US claimed
WO-2001077026-A2 FUNGICIDAL METHOD HERCULES INCORPORATED (US) 2001-10-18 WO claimed
EP-0946232-B1 CRYSTALLISATION PROCESS SYNGENTA LTD (GB) 2001-08-22 EP claimed
US-7241454-B2 Pesticidal formulations SYNGENTA LIMITED (GB) 2007-07-10 US disclosed
US-20060159772-A1 Fungicidal compositions ISAGRO S.P.A. (IT) 2006-07-20 US disclosed
EP-1317177-A1 PESTICIDAL FORMULATIONS Syngenta Limited (GB) 2003-06-11 EP disclosed
EP-1267617-A2 FUNGICIDAL METHOD HERCULES INCORPORATED (US) 2003-01-02 EP disclosed
US-20020108730-A1 FUNGICIDAL METHOD SOLENIS TECHNOLOGIES, L.P. 2002-08-15 US disclosed
US-6428654-B1 COMBINING FUNGICIDE COMPRISING STROBILURIN WITH AQUEOUS SYSTEM COMPRISING PAPERMAKING STOCK TANK, PULP REFINER, STOCK CHEST, FLOW BOX, FURNISH OR WET-LAP TO CONTROL GROWTH OF FUNGI OR MILDEW HERCULES INCORPORATED 2002-08-06 US disclosed
WO-2002019821-A1 PESTICIDAL FORMULATIONS SYNGENTA LIMITED (GB) 2002-03-14 WO disclosed
WO-2001077026-A2 FUNGICIDAL METHOD HERCULES INCORPORATED (US) 2001-10-18 WO disclosed