SCHEMBL28257992

SCHEMBL28257992

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

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
TSHR P16473 3/20 0.40

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
SCHEMBL6746515 0.89 TSHR (0.38) ALDH1A1TSHR
SCHEMBL8760471 0.88 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL11812083 0.87 ALDH1A1 (0.56) ALDH1A1TSHR
Styrene SCHEMBL27492789 0.86 ALDH1A1 (0.40) ALDH1A1TSHR
Acrylic Acid Methyl Ester SCHEMBL28251137 0.86 ALDH1A1 (0.43) ALDH1A1TSHR
Methacrylic Acid SCHEMBL1274643 0.83 TSHR (0.39) ALDH1A1TSHR
SCHEMBL28161373 0.83 TDP1 (0.40) ALDH1A1TSHR
SCHEMBL284253 0.83 ALDH1A1 (0.65) ALDH1A1TSHR
Acrylic Acid Methyl Ester SCHEMBL6374667 0.83 TSHR (0.42) ALDH1A1TSHR
SCHEMBL20730 0.82

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
CN-108978218-A A kind of preparation method of cotton fabric stiffening agent 裴泽民 2018-12-11 CN disclosed
CN-1206298-C Environmental protection type resin brightening agent and its preparation method CHENDU INST OF ORGANIC CHEMIST (CN) 2005-06-15 CN disclosed
CN-1478834-A Environmental protection type resin brightening agent and its preparation method 中国科学院成都有机化学研究所 2004-03-03 CN disclosed