SCHEMBL9774445

SCHEMBL9774445

CCCCCCCCCCC(C=O)(OC)OC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
TSHR P16473 1/20 0.39
GGPS1 O95749 6/20 0.38
SMPD1 P17405 3/20 0.37
FDPS P14324 8/20 0.36

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
SCHEMBL8924793 1.00 EPHX1 (0.41) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL8921966 1.00 EPHX1 (0.41) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL5528700 1.00 EPHX1 (0.41) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL8924684 1.00 EPHX1 (0.41) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL8923107 0.98 ADH1B (0.38) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL8624273 0.91 ADH1B (0.36) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL4431241 0.81
SCHEMBL28227783 0.81 EPHX1 (0.40) EPHX1ADH1BADH1CADH1AADH4
SCHEMBL11479362 0.74 GGPS1 (0.34) GGPS1SMPD1FDPS
SCHEMBL11849967 0.74 GMNN (0.38) TSHR

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
US-5068477-A Impregnation with reducing agent, decomposition with heat and drying EUROPEENNE DE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-11-26 US disclosed
US-5032565-A Using aldehyde, ketone, alcohol, ether or acid EUROPEENNE RETRAITEMENT DE CATALYSEURS EURECAT (FR) 1991-07-16 US disclosed