Butylate

Butylate

SCHEMBL8467882

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

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.48
MAPK1 P28482 1/20 0.48
FFAR3 O14843 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
AKR1B1 P15121 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ALDH1A1 P00352 3/20 0.32
ALDH2 P05091 1/20 0.32
PPARG P37231 6/20 0.31
PPARD Q03181 6/20 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 SCHEMBL2036461 0.87 TSHR (0.48) TSHRMAPK1FFAR3CA12CA1
Butylate SCHEMBL5447029 0.87 TSHR (0.43) TSHRMAPK1AKR1B1ALDH1A1PPARG
Butylate SCHEMBL9725729 0.87 TSHR (0.57) TSHRMAPK1CA12CA1CA2
Butylate SCHEMBL66484 0.87 TSHR (0.56) TSHRMAPK1CA12CA1CA2
Butylate SCHEMBL10399541 0.87 TSHR (0.56) TSHRMAPK1CA12CA1CA2
Butylate SCHEMBL8539930 0.87 TSHR (0.56) TSHRMAPK1CA12CA1CA2
Stearic Acid SCHEMBL4622822 0.86 GPR84 (0.50) TSHRAKR1B1ALDH1A1PPARGPPARD
Butylate SCHEMBL196875 0.85 TSHR (0.50) TSHRMAPK1CA12CA1CA2
Butylate SCHEMBL8021675 0.85 TSHR (0.50) TSHRMAPK1CA12CA1CA2
Butylate SCHEMBL395574 0.85 TSHR (0.54) TSHRMAPK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021086044-A1 NOVEL COMPOUND FOR CROP PROTECTANT 주식회사 엘지화학 2021-05-06 WO disclosed
US-5993842-A Microcapsules containing suspensions of biologically active compounds ZENECA LIMITED (GB) 1999-11-30 US disclosed
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5688745-A Arylsulfonylureas and their use as herbicides and growth regulators HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-18 US disclosed
US-5562914-A FOR CONTROLLED RELEASE OF ACTIVE MATERIAL THROUGH POLYURETHANE MATRIX ZENECA INC. (US) 1996-10-08 US disclosed
US-5563112-A Herbicidal diphenyl ether and nitrogen solution compositions and method ZENECA LIMITED (GB) 1996-10-08 US disclosed
WO-1996015667-A2 ANTIDOTE COMPOSITION AND METHOD FOR USE OF THE COMPOSITION Nitrokémia Rt. (HU) 1996-05-30 WO disclosed
US-5463081-A Chemical intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1995-10-31 US disclosed
EP-0574418-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS Hoechst Schering AgrEvo GmbH (DE) 1993-12-22 EP disclosed
EP-0546082-A1 HERBICIDAL PYRROLESULFONYLUREAS. DU PONT (US) 1993-06-16 EP disclosed
US-5173105-A Herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-22 US disclosed
US-5152826-A Herbicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-10-06 US disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 WO disclosed
US-5076832-A Certain 3-(substituted phenyl)-5-(substituted phenyl)-1-ethylimidazolidine-4-ones as herbicides ICI AMERICAS INC. (US) 1991-12-31 US disclosed
EP-0413730-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-02-27 EP disclosed
US-4957538-A HERBICIDES ICI AMERICAS INC. (US) 1990-09-18 US disclosed
US-4925479-A HERBICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-15 US disclosed
WO-1989010694-A1 HERBICIDAL PYRIDINESULFONYLUREAS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-11-16 WO disclosed
US-4869748-A HERBICIDES ICI AMERICAS INC. (US) 1989-09-26 US disclosed