SCHEMBL6252835

SCHEMBL6252835

CC(O)CC(C)COOCC(C)(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
MAPK1 P28482 1/20 0.31
CYP2C9 P11712 1/20 0.30

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
SCHEMBL16224070 0.85 ACACB (0.33) ACACBACACA
SCHEMBL16223954 0.77 MAPK1 (0.32) MAPK1
SCHEMBL28975548 0.77 MAPK1 (0.36) MAPK1
SCHEMBL4916397 0.70 ACACB (0.33) ACACBACACACYP2C9
SCHEMBL6250249 0.69 MAPK1 (0.31) MAPK1
SCHEMBL5851756 0.67 CYP2C9 (0.36) ACACBACACACYP2C9
SCHEMBL6249219 0.67 MAPT (0.31)
SCHEMBL1362384 0.67 CYP2C9 (0.33) ACACBACACACYP2C9
SCHEMBL6250466 0.67
SCHEMBL8052693 0.65 CYP2C9 (0.42) ACACBACACACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1564225-B1 Non-gel hydroxyperoxyester emulsion ARKEMA FRANCE (FR) 2014-11-12 EP claimed
EP-1564225-A1 Non-gel hydroxyperoxyester emulsion ARKEMA (FR) 2005-08-17 EP claimed
EP-1564225-B1 Non-gel hydroxyperoxyester emulsion ARKEMA FRANCE (FR) 2014-11-12 EP disclosed
EP-1564225-A1 Non-gel hydroxyperoxyester emulsion ARKEMA (FR) 2005-08-17 EP disclosed