SCHEMBL19601183

SCHEMBL19601183

CC(C)(CC(C)(C)C1CC(=O)OC1=O)C1CC(=O)OC1=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL13343821 0.84 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL29275089 0.82 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL18055730 0.82
SCHEMBL3373990 0.80 SMN1; SMN2 (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL8853723 0.80 SMN1; SMN2 (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL3369038 0.80 SMN1; SMN2 (0.33) ALDH1A1TSHRSMN1; SMN2
SCHEMBL13962466 0.77 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL29056350 0.77 ALDH1A1 (0.46) ALDH1A1TSHR
SCHEMBL15631557 0.73
SCHEMBL14883033 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327744-A1 LIQUID CRYSTAL ALIGNING AGENTS FOR FORMING PHOTO-ALIGNING LIQUID CRYSTAL ALIGNMENT LAYERS, LIQUID CRYSTAL ALIGNMENT LAYERS AND LIQUID CRYSTAL DISPLAY DEVICES USING THE SAME JNC CORP (JP) 2017-11-16 US disclosed