SCHEMBL6941234

SCHEMBL6941234

O=C(OC1COCOC1)OC1COCOC1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 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
SCHEMBL14351517 0.91
SCHEMBL14351516 0.86
SCHEMBL6941236 0.82
SCHEMBL6939071 0.81
SCHEMBL8107203 0.81
SCHEMBL18027810 0.81 ALDH1A1 (0.44)
SCHEMBL9103020 0.80
SCHEMBL20118545 0.80 ATM (0.41)
SCHEMBL10397589 0.80 CHRM2 (0.36)
SCHEMBL6580653 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973768-B1 AZOLE COMPOUNDS, THEIR PRODUCTION AND THEIR USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-09 EP disclosed
US-6583164-B1 Lyophilized imidazole-1-yl or 1,2,4-triazole-1-yl quaternized with a alklycarbonyloxy alkyl group eliminated in vivo; a saccharide; 4-acetoxymethyl-1-(3-(2-oxo-3-(4-(1H-tetrazol-yl) phenyl)-1-imidazolydinyl)butyl)-1H-1,2,4-triazolium chloride TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-24 US disclosed
US-6407129-B1 INJECTABLE QUATERNIZED SALT FUNGICIDES; WATER SOLUBILITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-18 US disclosed
EP-1120116-A1 ANTIMYCOTIC DRUG COMPOSITION Takeda Chemical Industries, Ltd. (JP) 2001-08-01 EP disclosed