SCHEMBL9619309

SCHEMBL9619309

CCCC1OCC(C)(CO)CO1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48

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
SCHEMBL6814961 0.88 EPHX1 (0.45) EPHX1
SCHEMBL28283512 0.85 EPHX1 (0.34) EPHX1
SCHEMBL9619316 0.83 EPHX1 (0.52) EPHX1
SCHEMBL2742834 0.82 EPHX1 (0.32) EPHX1
SCHEMBL9837966 0.78 ALDH1A1 (0.30)
SCHEMBL19218163 0.76 EPHX1 (0.54) EPHX1
SCHEMBL1470264 0.75 ALDH1A1 (0.31)
SCHEMBL18529844 0.74
SCHEMBL28213812 0.73 ALDH1A1 (0.38) EPHX1
SCHEMBL8580576 0.73 EPHX1 (0.56) EPHX1

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