SCHEMBL8580588

SCHEMBL8580588

CC1(CO)COCOC1.CC1OCC(C)(CO)CO1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.58

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
SCHEMBL8580576 0.89 EPHX1 (0.56) EPHX1
SCHEMBL44597 0.85
SCHEMBL6002 0.75
SCHEMBL9809615 0.73 EPHX1 (0.40) EPHX1
Methane SCHEMBL11507333 0.73
Methyl Alcohol SCHEMBL27649791 0.73
SCHEMBL14870474 0.71 MEN1 (0.30)
SCHEMBL19218163 0.70 EPHX1 (0.54) EPHX1
SCHEMBL14672417 0.69 EPHX1 (0.67) EPHX1
SCHEMBL9876384 0.69 KDM4E (0.31)

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
US-5705087-A HYDROCARBON FUELS; ACETAL, KETAL, ESTER OR DERIVATIVE THEREOF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1998-01-06 US claimed