SCHEMBL7078637

SCHEMBL7078637

OP(O)(S)=NC1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
HIF1A Q16665 1/20 0.36
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 2/20 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
SCHEMBL7081562 0.78 EPHX1 (0.39) EPHX1HIF1AALDH1A1SIGMAR1
SCHEMBL3071709 0.72 FDPS (0.33) ALDH1A1
SCHEMBL6831163 0.67 ACHE (0.35) EPHX1HIF1A
SCHEMBL3068141 0.66 FDPS (0.36) EPHX1HIF1AALDH1A1
SCHEMBL19036798 0.62 EPHX1 (0.35) EPHX1HIF1AALDH1A1
SCHEMBL3176204 0.61 EPHX1 (0.45) EPHX1HIF1AALDH1A1SIGMAR1
SCHEMBL3185337 0.61
SCHEMBL3179363 0.61
Biphenyl SCHEMBL6237694 0.61 ALDH1A1 (0.47) ALDH1A1
SCHEMBL19402802 0.60 EPHX1 (0.50) EPHX1HIF1AALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed