SCHEMBL28279273

SCHEMBL28279273

C=CC(=O)OCCC[SiH2]OCC.CO[SiH](Cl)OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 2/20 0.35
ATM Q13315 1/20 0.33

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
SCHEMBL28113535 0.92 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28068606 0.89 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1015223 0.89 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28257369 0.88 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28220884 0.88 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28029882 0.87 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
Phosphine SCHEMBL28175773 0.87 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4TP53
Propene SCHEMBL27630347 0.86 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28087680 0.86 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
Hydrochloric Acid SCHEMBL28159246 0.86 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4TP53

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-109310581-A Dental composition comprising a dental filler comprising structured filler and silanized glass flakes 登特斯普伊德特雷有限公司 2019-02-05 CN disclosed