SCHEMBL28804317

SCHEMBL28804317

CO[Si](C)(CCC(OCC1CO1)OCC1CO1)OC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 2/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL187759 0.94 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2TDP1
SCHEMBL15814098 0.86 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL5605973 0.84 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL27986195 0.83 ALDH1A1 (0.34) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL7633176 0.83 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL31277011 0.81 ALDH1A1 (0.36) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL18812783 0.79 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL20943478 0.79 ALDH1A1 (0.32) ALDH1A1SMN1; SMN2
SCHEMBL27845450 0.78 ALDH1A1 (0.33) ALDH1A1TP53CYP3A4TSHRMAPK1
SCHEMBL19921863 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1

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-114846041-A Thermally conductive polyurethane adhesive compositions 汉高股份有限及两合公司 2022-08-02 CN disclosed