SCHEMBL28107705

SCHEMBL28107705

COC(=O)C(OC(C)C)(OC(C)C)C(C)=O.[AlH3]

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.32
DGAT1 O75907 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
SCHEMBL27702221 0.84 TSHR (0.39) TSHR
SCHEMBL9064424 0.79 TSHR (0.39) TSHR
SCHEMBL28668019 0.79 ALDH1A1 (0.40) ALDH1A1DGAT1
SCHEMBL7645399 0.77 TSHR (0.35) TSHR
SCHEMBL27610857 0.77 TSHR (0.36) TSHRALDH1A1
SCHEMBL27551330 0.75 MMP8 (0.40) ALDH1A1
SCHEMBL28677726 0.75 TSHR (0.36) TSHR
SCHEMBL3698190 0.74 MMP8 (0.39) TSHRALDH1A1
SCHEMBL4541515 0.74 MMP8 (0.39) ALDH1A1
SCHEMBL9738748 0.74 MMP8 (0.39) ALDH1A1

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-105980463-A Optical article comprising a hard coat, and production method 埃西勒国际通用光学公司 2016-09-28 CN disclosed