SCHEMBL6630645

SCHEMBL6630645

ON=C(CF)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
HTT P42858 1/20 0.40
GAA P10253 4/20 0.39
CYP2C19 P33261 1/20 0.39
DRD4 P21917 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
CES1 P23141 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL11653202 1.00 ATM (0.46) ATMCA12CA1CA2CA9
SCHEMBL27892296 0.82 KMO (0.47) HDAC8
SCHEMBL2470468 0.78 ATM (0.48) ATMCA12CA1CA2CA9
SCHEMBL11656817 0.77 CES2 (0.39) ATMCA1CA2GAAMAPT
SCHEMBL11656813 0.77 CES2 (0.39) ATMCA1CA2GAAMAPT
SCHEMBL3891431 0.76 GSK3B (0.48) ATMCA12CA1CA2CA9
SCHEMBL7331705 0.76 ATM (0.46) ATMCA12CA1CA2CA9
SCHEMBL22024926 0.76 GSK3B (0.48) ATMCA12CA1CA2CA9
SCHEMBL6161952 0.76 GSK3B (0.48) ATMCA12CA1CA2CA9
SCHEMBL9834835 0.76 ATM (0.46) ATMCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669070-B Synthesis method of O- (dialkyl phosphinic group) ketoxime 成都理工大学 2021-08-27 CN claimed
CN-102702064-A 2,4, 6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2012-10-03 CN claimed
CN-101696197-A Iodophenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2010-04-21 CN claimed
CN-101696184-A iodophenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG 2010-04-21 CN claimed
CN-101094856-A 2-alkoxy-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AG (DE) 2007-12-26 CN claimed
CN-101056852-A Iodophenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-10-17 CN claimed
CN-101010306-A Phenyl-substituted [1.2] -oxazine-3, 5-dione and dihydropyrone derivatives BAYER CROPSCIENCE AG (DE) 2007-08-01 CN claimed
CN-1980936-A 2,4, 6-phenyl-substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-06-13 CN claimed
CN-1915025-A Carbamoyl triazolinone-based herbicides BAYER AG (DE) 2007-02-21 CN claimed
CN-1273020-C Carbamoyl triazolinone based herbicides BAYER AG (DE) 2006-09-06 CN claimed
CN-1564660-A Selective herbicides based on substituted cyclic ketoenols and safeners BAYER CROPSCIENCE AG (DE) 2005-01-12 CN claimed
CN-1555221-A Selective herbicides based on substituted thien-3-yl-sulfonylamino(thio)carbonyl-triazolin(thi)ones and safeners �ݶ�ũ�����ѧ�ɷݹ�˾ 2004-12-15 CN claimed
CN-1543311-A Selective substituted aryl ketone and safener based herbicides 拜尔农作物科学股份公司 2004-11-03 CN claimed
CN-1430471-A Selective heteroaryloxy-acetamide-based herbicides BAYER CORPSCIENCE GMBH (DE) 2003-07-16 CN claimed
CN-1391439-A Synergistic herbicidal active substance combinations BAYER AG (DE) 2003-01-15 CN claimed
CN-1391441-A Carbamoyl triazolinone based herbicides BAYER AG (DE) 2003-01-15 CN claimed
CN-1379622-A Selective herbicides based on substituted phenylsulfonylaminocarbonyltriazolinones and safeners BAYER AG (DE) 2002-11-13 CN claimed
CN-1378424-A Selective herbicides on basis of n-aryl-trizoline (thio) ones BAYER AG (DE) 2002-11-06 CN claimed
CN-110317177-B Preparation method of pyrimidine salicylic acid oxime ester compound and application of pyrimidine salicylic acid oxime ester compound as herbicide 常州大学 2022-05-17 CN disclosed
US-4117154-A INSECTICIDES, ACARICIDES, NEMATOCIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 US disclosed