SCHEMBL4916397

SCHEMBL4916397

CC(O)CC(C)(C)OOCC(C)(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 3)

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

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
SCHEMBL1029546 0.77 CYP2C9 (0.34) CYP2C9
SCHEMBL1362384 0.76 CYP2C9 (0.33) ACACBACACACYP2C9
SCHEMBL998423 0.74 CYP2C9 (0.37) ACACBACACACYP2C9
SCHEMBL28519723 0.74 LMNA (0.36) ACACBACACACYP2C9
SCHEMBL1906158 0.73 MAPK1 (0.42) CYP2C9
Pivalate SCHEMBL8776383 0.71 CYP2C9 (0.35) ACACBACACACYP2C9
SCHEMBL7788689 0.70 MAPK1 (0.30)
SCHEMBL6252835 0.70 ACACB (0.33) ACACBACACACYP2C9
SCHEMBL7756989 0.69 MAPK1 (0.32)
SCHEMBL10441310 0.69 HSD17B10 (0.40)

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-8975000-B2 Method of producing polymerized toner, method of producing binder resin for toner, and toner CANON KABUSHIKI KAISHA (JP) 2015-03-10 US disclosed
US-20080286675-A1 METHOD OF PRODUCING POLYMERIZED TONER, METHOD OF PRODUCING BINDER RESIN FOR TONER, AND TONER CANON KABUSHIKI KAISHA (JP) 2008-11-20 US disclosed