SCHEMBL6544638

SCHEMBL6544638

O=C(C1=COCC1)C(Cl)(Cl)Br

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 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
SCHEMBL2220163 0.88 EPHX2 (0.31) EPHX2
SCHEMBL6384635 0.79 EPHX2 (0.36) EPHX2
SCHEMBL12463565 0.73
SCHEMBL2220877 0.73
SCHEMBL4566089 0.71
SCHEMBL16259139 0.70 CES2 (0.33)
SCHEMBL15177067 0.67
SCHEMBL13559593 0.64
SCHEMBL9648562 0.57
SCHEMBL6864335 0.56

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-1250330-B1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEM CO (US) 2004-01-07 EP disclosed
EP-1250330-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2002-10-23 EP disclosed
WO-2001055127-A1 PROCESS FOR THE PREPARATION OF 3-FUROATE ESTERS AND NOVEL INTERMEDIATE COMPOUNDS EASTMAN CHEMICAL COMPANY (US) 2001-08-02 WO disclosed
US-6184394-B1 ALKYL 3-FUROATES FROM 4-ACYL-2,3-DIHYDROFURANS FROM 4-ACYL-2,3-DIHYDRO-FURANS BY HALOGENATING IN THE PRESENCE OF AN ALKANOL FOLLOWED BY CONTACTING WITH A STRONG BASE; DRUGS; ANTINFLAMMATORY AND -FOULING AGENTS EASTMAN CHEMICAL COMPANY 2001-02-06 US disclosed