SCHEMBL7022009

SCHEMBL7022009

Cc1ccc(S(=O)(=O)O)cc1CCCC(F)(F)Br

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
S1PR3 Q99500 1/20 0.33
SNCA P37840 1/20 0.33
CA2 P00918 1/20 0.32
ALDH1A1 P00352 4/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
PARP1 P09874 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL2484125 0.87 CA2 (0.37) LMNAS1PR3SNCACA2ALDH1A1
SCHEMBL10598218 0.85 SNCA (0.39) LMNAS1PR3SNCACA2ALDH1A1
SCHEMBL9419143 0.84 ALOX15 (0.35) LMNAS1PR3SNCACA2ALDH1A1
SCHEMBL776684 0.84 SNCA (0.35) LMNASNCACA2ALDH1A1HSD17B10
SCHEMBL600326 0.82 TAAR1 (0.36) LMNAS1PR3SNCACA2ALDH1A1
SCHEMBL10596213 0.81 ALDH1A1 (0.41) LMNASNCACA2ALDH1A1HSD17B10
SCHEMBL4620923 0.80 S1PR3 (0.43) LMNAS1PR3SNCACA2ALDH1A1
SCHEMBL28542745 0.80 CA2 (0.45) LMNAS1PR3SNCACA2ALDH1A1
SCHEMBL6259776 0.79 S1PR3 (0.36) LMNAS1PR3SNCAALDH1A1HSD17B10
SCHEMBL10652394 0.79 S1PR3 (0.45) LMNAS1PR3CA2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP disclosed
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5914423-A 4-BROMO-3,4,4-TRIFLUOROBUTYL (ALKYL OR ALKYLPHENYL) SULFONATES; PREPARING 4-BROMO-1,1-DIFLUORO-BUT-1-ENE BY DEBROMOFLUORINATION OF 1,4-DIBROMO-1,1,2-TRIFLUOROBUTANE; CHEMICAL INTERMEDIATES TO NEMATICIDE PRODUCTION ZENECA, LIMITED (GB) 1999-06-22 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5728833-A REACTING MERCAPTO-SUBSTITUTED HETEROCYCLIC COMPOUND WITH 4-HALO-1,1-DIFLUOROBUT-1-ENE OR 4,4-DIFLUOROBUT-3-ENYL SULFONATE ZENECA LIMITED (GB) 1998-03-17 US disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
US-5684011-A Pyrimidine derivatives useful as nematicides ZENECA LIMITED (GB) 1997-11-04 US disclosed
EP-0660827-B1 HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY ZENECA LTD (GB) 1997-04-16 EP disclosed
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed
EP-0712395-A1 PROCESS FOR THE PREPARATION OF FLUOROATHENYLTHIO HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-05-22 EP disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 WO disclosed
WO-1995004727-A1 PROCESS FOR THE PREPARATION OF FLUOROATHENYLTHIO HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1995-02-16 WO disclosed
WO-1994006777-A1 HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY ZENECA LIMITED (GB) 1994-03-31 WO disclosed