SCHEMBL19418031

SCHEMBL19418031

CC(C)(C)C(=O)OCC(=O)OC1(C)C2CC3CC(C2)C1C3

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP3A4 P08684 1/20 0.31
HIF1A Q16665 1/20 0.31
PGR P06401 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
AR P10275 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
SCHEMBL15942901 0.86 CYP17A1 (0.43) CYP17A1CYP19A1CYP3A4HIF1APGR
SCHEMBL19418032 0.83 CYP17A1 (0.34) CYP17A1CYP19A1
SCHEMBL19418029 0.78 CYP17A1 (0.32) CYP17A1CYP19A1
SCHEMBL22643370 0.77 CYP19A1 (0.38) CYP17A1CYP19A1
SCHEMBL685244 0.76 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL13971210 0.76 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL686143 0.76 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL47422 0.75 CYP17A1 (0.41) CYP17A1CYP19A1
SCHEMBL18903144 0.74 CYP17A1 (0.33) CYP17A1CYP19A1
SCHEMBL12017740 0.74 CYP17A1 (0.40) CYP17A1CYP19A1

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-2060600-B1 Resist composition, method of forming resist pattern, novel compound, and acid generator TOKYO OHKA KOGYO CO LTD (JP) 2017-12-27 EP disclosed
EP-2093213-B1 Positive resist composition and method of forming a resist pattern using the same TOKYO OHKA KOGYO CO LTD (JP) 2017-10-04 EP disclosed