Butylate

Butylate

SCHEMBL9725729

CCCC.CCSC(=O)N(CC(C)C)CC(C)C

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
CA1 P00915 5/20 0.43
CA12 O43570 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
ALDH1A1 P00352 1/20 0.34
MLYCD O95822 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
Butylate SCHEMBL10399541 0.96 TSHR (0.56) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL8539930 0.96 TSHR (0.56) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL66484 0.96 TSHR (0.56) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL11689530 0.94 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL10626195 0.94 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL7778213 0.94 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL10487951 0.94 TSHR (0.59) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL10487947 0.94 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL1986203 0.94 TSHR (0.54) TSHRMAPK1CA1CA12CA2
Butylate SCHEMBL395574 0.94 TSHR (0.54) TSHRMAPK1CA1CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1073797-C Herbicidal composition containing diphenyl ether and method for weeding ZENECA LTD (GB) 2001-10-31 CN disclosed
CN-1138819-A Herbicidal diphenyl ether and nitrogen solution compositions and methods ZENECA LTD (GB) 1996-12-25 CN disclosed
CN-1023680-C Herbicidal pyridine sulfonylureas DU PONT (US) 1994-02-09 CN disclosed
US-5171356-A Thiolcarbamate and nonphytotoxic extender which minimizes soil degradation ICI AMERICAS INC. (US) 1992-12-15 US disclosed
EP-0175332-B1 HERBICIDE COMPOSITIONS OF EXTENDED SOIL LIFE STAUFFER CHEMICAL COMPANY (US) 1992-03-18 EP disclosed
US-5011526-A Combination of thiocarbamate herbicide, organophosphorus compound, antidote ICI AMERICAS INC. (US) 1991-04-30 US disclosed
US-4915725-A ORGANOPHOSPHORUS COMPOUNDS PROLONG THE EFFECTIVENESS OF A SINGLE APPLICATION OF THIOCARBAMATE HERBICIDE ICI AMERICAS, INC. (US) 1990-04-10 US disclosed
EP-0175332-A2 Herbicide compositions of extended soil life STAUFFER CHEMICAL COMPANY (US) 1986-03-26 EP disclosed