SCHEMBL10064095

SCHEMBL10064095

C=C(C)C(=O)OC1(CCO)C2CC3CC(C2)CC1C3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
HSD11B1 P28845 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
SCHEMBL13171802 0.90 CYP4F2 (0.31) ALDH1A1
SCHEMBL213932 0.88 TSHR (0.33) ALDH1A1CYP17A1CYP19A1HSD11B1
SCHEMBL44041 0.85 ALDH1A1 (0.35) ALDH1A1CYP17A1CYP19A1HSD11B1
SCHEMBL14240832 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14272252 0.85 MEN1 (0.35) ALDH1A1HSD11B1
SCHEMBL10040375 0.85 HSD11B1 (0.39) ALDH1A1HSD11B1
SCHEMBL825473 0.85 TSHR (0.38) ALDH1A1
SCHEMBL30421164 0.84 TSHR (0.35) ALDH1A1HSD11B1
SCHEMBL4400901 0.84 TSHR (0.37) ALDH1A1
SCHEMBL4401855 0.84 TSHR (0.41) ALDH1A1

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
US-8623590-B2 Pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-8623590-B2 Pattern forming process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-01-07 US disclosed
US-20120108043-A1 PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20120108043-A1 PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-03 US disclosed