SCHEMBL13779573

SCHEMBL13779573

CCC(C)(C)C(=O)OCCCCCCC(=O)OC1(C)C2CC3CC(C2)CC1C3

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 18/20 0.39
CYP17A1 P05093 2/20 0.37
CYP19A1 P11511 2/20 0.37

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
SCHEMBL107997 0.95 CYP17A1 (0.38) EPHX2CYP17A1CYP19A1
SCHEMBL47548 0.90 CYP17A1 (0.39) EPHX2CYP17A1CYP19A1
SCHEMBL16904932 0.88 CYP17A1 (0.38) EPHX2CYP17A1CYP19A1
SCHEMBL12357060 0.87 CYP17A1 (0.37) EPHX2CYP17A1CYP19A1
SCHEMBL12357061 0.87 CYP17A1 (0.37) EPHX2CYP17A1CYP19A1
SCHEMBL12357066 0.87 CYP17A1 (0.37) EPHX2CYP17A1CYP19A1
SCHEMBL12357062 0.85 CYP17A1 (0.38) EPHX2CYP17A1CYP19A1
SCHEMBL13779571 0.84 EPHX2 (0.41) EPHX2
SCHEMBL13231687 0.84 EPHX2 (0.37) EPHX2
SCHEMBL13609227 0.83 EPHX2 (0.35) EPHX2

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-7556908-B2 Chemically amplified positive resist composition, (meth)acrylate derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-07 US disclosed
US-7232642-B2 Chemically amplified positive resist composition, a haloester derivative and a process for producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-19 US disclosed