SCHEMBL9619368

SCHEMBL9619368

CC(C)CC1(CO)COC(C)(C)OC1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38

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
SCHEMBL2512663 0.82 EPHX1 (0.48) EPHX1
SCHEMBL4186166 0.80 EPHX1 (0.48) EPHX1
SCHEMBL6364497 0.77 EPHX1 (0.39) EPHX1
SCHEMBL14890957 0.76
SCHEMBL1108447 0.76 EPHX1 (0.42) EPHX1
SCHEMBL9619380 0.75 EPHX1 (0.34) EPHX1
Methane SCHEMBL9788186 0.74 EPHX1 (0.41) EPHX1
SCHEMBL12769174 0.74 EPHX1 (0.41) EPHX1
SCHEMBL16330404 0.74 EPHX1 (0.41) EPHX1
SCHEMBL21025726 0.73 KCNA4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0247472-B1 PROCESS FOR THE PREPARATION OF CARBOXYLIC ACID DERIVATIVES BAYER AG (DE) 1992-02-12 EP disclosed
EP-0247472-A2 Process for the preparation of carboxylic acid derivatives BAYER AG (DE) 1987-12-02 EP disclosed