SCHEMBL3645808

SCHEMBL3645808

CCCCCCCCCCCCCCP(CCCC)(CCCC)(CCCC)OS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
FAAH O00519 5/20 0.35
KCNH2 Q12809 6/20 0.35
CES1 P23141 5/20 0.34
CES2 O00748 3/20 0.34

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
SCHEMBL514370 1.00 EPHX1 (0.41) EPHX1FAAHKCNH2CES1CES2
SCHEMBL3770728 1.00 EPHX1 (0.41) EPHX1FAAHKCNH2CES1CES2
SCHEMBL3780713 1.00 EPHX1 (0.41) EPHX1FAAHKCNH2CES1CES2
SCHEMBL2761031 0.98 EPHX1 (0.42) EPHX1FAAHKCNH2CES1CES2
SCHEMBL2865206 0.98 EPHX1 (0.42) EPHX1FAAHKCNH2CES1CES2
SCHEMBL1293541 0.94 EPHX1 (0.36) EPHX1FAAHKCNH2CES1CES2
SCHEMBL3785034 0.91 EPHX1 (0.40) EPHX1FAAHKCNH2CES1CES2
SCHEMBL3779476 0.91 EPHX1 (0.40) EPHX1FAAHKCNH2CES1CES2
SCHEMBL3776841 0.91 EPHX1 (0.40) EPHX1FAAHKCNH2CES1CES2
SCHEMBL15398476 0.89 EPHX1 (0.37) EPHX1FAAHKCNH2CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2185642-A1 FLAME RETARDANT POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION E. I. du Pont de Nemours and Company (US) 2010-05-19 EP disclosed
WO-2009020947-A1 FLAME RETARDANT POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-02-12 WO disclosed
US-20090043017-A1 FLAME RETARDANT POLYTRIMETHYLENE TEREPHTHALATE COMPOSITION E. I. DU PONT DE NEMOURS AND COMPANY 2009-02-12 US disclosed