SCHEMBL21496027

SCHEMBL21496027

C=C(C)C(=O)OC(C)(C)C[O]

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.36
GAA P10253 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL22353268 0.84 ALDH1A1 (0.44) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL1067047 0.84 ALDH1A1 (0.44) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL1371760 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL347723 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL7701340 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAA
SCHEMBL5176405 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAA
Ammonia Solution, Strong SCHEMBL1735564 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAATDP1
SCHEMBL11048882 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAA
SCHEMBL12198780 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAA
SCHEMBL7706303 0.80 ALDH1A1 (0.41) ALDH1A1TSHRTHRBGAATDP1

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
WO-2019202795-A1 ORGANIC SILICON COMPOUND AND PRODUCTION METHOD THEREFOR 信越化学工業株式会社 2019-10-24 WO disclosed