SCHEMBL6263144

SCHEMBL6263144

O=C(c1cccc(O)c1)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
CES1 P23141 1/20 0.59
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA6 P23280 1/20 0.57
CA9 Q16790 1/20 0.57
TP53 P04637 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
PARP1 P09874 1/20 0.55
KDM4E B2RXH2 2/20 0.52
EGLN2 Q96KS0 1/20 0.52
P2RX1 P51575 1/20 0.50
ALDH1A1 P00352 1/20 0.50
FASN P49327 1/20 0.48
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
ESR1 P03372 1/20 0.45

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
SCHEMBL8755253 0.87 CES1 (0.70) ACHECES1PARP1HDAC6
SCHEMBL30166168 0.81 CES1 (0.65) ACHECES1PARP1HDAC6
SCHEMBL1273634 0.81 CES1 (0.65) ACHECES1PARP1HDAC6
SCHEMBL3506617 0.79 CA12 (0.57) ACHECA12CA1CA2CA6
SCHEMBL22506972 0.79 ACHE (0.59) ACHECES1HDAC6
SCHEMBL6295066 0.79 CES1 (0.65) ACHECES1CA12CA1CA2
SCHEMBL7940799 0.79 CA12 (0.57) CA12CA1CA2CA6CA9
SCHEMBL312610 0.78 ACHE (0.62) ACHECES1PARP1HDAC6
SCHEMBL7052467 0.78 ACHE (0.58) ACHECES1TP53GAAHTT
SCHEMBL7048349 0.78 ACHE (0.58) ACHECES1PARP1KDM4EALDH1A1

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-1204632-B1 FUNGICIDAL COMPOUNDS HAVING A FLUOROVINYL- OR FLUOROPROPENYL-OXYPHENYLOXIME MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2005-11-09 EP disclosed
CN-1178897-C Fungicidal compounds having fluorovinyl-or-fluoropropenyl-oxyphenyloxime moiety and process for prepn. thereof ������ѧ�����о�Ժ 2004-12-08 CN disclosed
US-6552080-B1 High fungicidal activity against a wide spectrum of plant pathogenic fungi KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-04-22 US disclosed
EP-1204632-A4 FUNGICIDAL COMPOUNDS HAVING A FLUOROVINYL- OR FLUOROPROPENYL-OXYPHENYLOXIME MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2003-03-26 EP disclosed
CN-1370141-A Fungicidal compounds having fluorovinyl-or-fluoropropenyl-oxyphenyloxime moiety and process for prepn. thereof KOREA RES INST CHEM TECH (KR) 2002-09-18 CN disclosed
EP-1204632-A1 FUNGICIDAL COMPOUNDS HAVING A FLUOROVINYL- OR FLUOROPROPENYL-OXYPHENYLOXIME MOIETY AND PROCESS FOR THE PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2002-05-15 EP disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
WO-2001012585-A1 FUNGICIDAL COMPOUNDS HAVING A FLUOROVINYL- OR FLUOROPROPENYL-OXYPHENYLOXIME MOIETY AND PROCESS FOR THE PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2001-02-22 WO disclosed
CN-1263882-A Method for preparing fluorine-substituted aromatic compound MITSUI CHEMICALS INC (JP) 2000-08-23 CN disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
US-3940407-A β-Adrenergic blocking agents in the 1,2,3-thiadiazole series SYNTEX (U.S.A.) INC. (US) 1976-02-24 US disclosed