SCHEMBL5701882

SCHEMBL5701882

C=CC(=O)OCCC[SiH2]OC(O[Si](CC)(CC)CC)O[Si](CC)(CC)CC

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
SCHEMBL393550 0.87 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL20555649 0.82 TSHR (0.51) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5701484 0.82 TSHR (0.45) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5701445 0.81 TSHR (0.45) TSHRALDH1A1THRB
SCHEMBL22115829 0.81 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL22115824 0.80 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7879592 0.79 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1014595 0.78 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL5701986 0.78 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL229761 0.77 TSHR (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1510520-B1 Preparation of branched siloxane SHINETSU CHEMICAL CO (JP) 2006-07-26 EP disclosed
US-6943264-B2 Preparation of branched siloxane SHIN-ETSU CHEMICAL, CO., LTD. (JP) 2005-09-13 US disclosed
US-20050049427-A1 Preparation of branched siloxane SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-03-03 US disclosed
EP-1510520-A1 Preparation of branched siloxane Shin-Etsu Chemical Co., Ltd. (JP) 2005-03-02 EP disclosed