SCHEMBL4799737

SCHEMBL4799737

C=CC(C)(O)OC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.34
THRB P10828 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
SCHEMBL27400839 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
SCHEMBL1345876 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
SCHEMBL4562684 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
SCHEMBL9657685 0.79 ALDH1A1 (0.37) ALDH1A1TSHR
SCHEMBL29895722 0.79 ALDH1A1 (0.44) ALDH1A1TSHRTHRBTDP1
SCHEMBL168270 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTHRBTDP1
SCHEMBL1498046 0.78 ALDH1A1 (0.48) ALDH1A1TSHRTHRBTDP1
Butadiene SCHEMBL28192911 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTHRBTDP1
SCHEMBL21855112 0.76 ALDH1A1 (0.46) ALDH1A1TSHRTHRBTDP1
SCHEMBL436660 0.76 TSHR (0.43) ALDH1A1TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008004735-A1 MICROPATTERN-FORMING RESIN COMPOSITON AND METHOD FOR FORMING MICROPATTERN USING THE SAME CHEIL INDUSTRIES INC. (KR) 2008-01-10 WO claimed
CN-107429024-B Polymer mixture based on fluoropolymer, polymer film, and polarizer protective film 阿克隆聚合物系统有限公司 2020-07-14 CN disclosed
WO-2008004735-A1 MICROPATTERN-FORMING RESIN COMPOSITON AND METHOD FOR FORMING MICROPATTERN USING THE SAME CHEIL INDUSTRIES INC. (KR) 2008-01-10 WO disclosed