SCHEMBL28528795

SCHEMBL28528795

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.41
THRB P10828 1/20 0.39

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
SCHEMBL601418 0.91 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL27492042 0.90 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL5068871 0.89 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL9162961 0.89 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL27491003 0.88 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL11127569 0.88 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL19583193 0.88 TSHR (0.39) TSHRALDH1A1THRB
SCHEMBL11804123 0.88 TSHR (0.34) TSHRALDH1A1THRB
SCHEMBL17423970 0.87 TSHR (0.40) TSHRALDH1A1THRB
SCHEMBL554126 0.85 ALDH1A1 (0.44) TSHRALDH1A1THRB

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
CN-107109083-B Radiation curable compositions comprising hydrophilic nanoparticles 巴斯夫涂料有限公司 2021-01-08 CN disclosed