SCHEMBL3738205

SCHEMBL3738205

C=CC(=O)OC(CC)[Si](C)(C)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.37
HPGD P15428 1/20 0.36
THRB P10828 2/20 0.34
ALDH1A1 P00352 4/20 0.31
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5838258 0.85 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL10430815 0.81 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL3746493 0.81 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1603671 0.81 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL3738182 0.81 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL3738193 0.81 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL18918481 0.81 TSHR (0.37) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL11220689 0.81 TSHR (0.39) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1067359 0.80 TSHR (0.36) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL16666960 0.80 TSHR (0.36) TSHRHPGDTHRBALDH1A1TP53

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
US-7834120-B2 Monofunctional monomer having cage oligosiloxane structure and method of making SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-16 US disclosed
EP-1645560-B1 Monofunctional monomer having cage oligosiloxane structure and method of making SHINETSU CHEMICAL CO (JP) 2008-05-28 EP disclosed
EP-1645560-A1 Monofunctional monomer having cage oligosiloxane structure and method of making Shin-Etsu Chemical Co., Ltd. (JP) 2006-04-12 EP disclosed
US-20060074213-A1 Monofunctional monomer having cage oligosiloxane structure and method of making SHIN-ETSU CHEMICAL CO., LTD. (JP) 2006-04-06 US disclosed