SCHEMBL28111567

SCHEMBL28111567

C=C(C)C(=O)OC(CN)OC=O

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.34
THRB P10828 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
SCHEMBL2597658 0.85 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL27587588 0.77 ALDH1A1 (0.34) TSHRALDH1A1THRB
SCHEMBL27298741 0.76 THRB (0.39) TSHRALDH1A1THRB
SCHEMBL28187489 0.76 ALDH1A1 (0.32) TSHRALDH1A1THRB
SCHEMBL23716776 0.73 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL7528585 0.72 TSHR (0.43) TSHRALDH1A1THRB
SCHEMBL11942796 0.72 TSHR (0.46) TSHRALDH1A1THRB
SCHEMBL6533659 0.71 TSHR (0.42) TSHRALDH1A1THRB
SCHEMBL18288496 0.71 TSHR (0.47) TSHRALDH1A1THRB
SCHEMBL16584783 0.70 TSHR (0.38) 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-106117057-A The method and apparatus of purified monomer 赢创罗姆有限公司 2016-11-16 CN disclosed