SCHEMBL5699003

SCHEMBL5699003

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
TSHR P16473 4/20 0.34
HPGD P15428 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 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
SCHEMBL7566743 0.86 TSHR (0.36) THRBTSHRHPGDALDH1A1TP53
SCHEMBL5699110 0.85 TSHR (0.37) THRBTSHRHPGDALDH1A1
SCHEMBL5699056 0.85 TSHR (0.39) THRBTSHRHPGDALDH1A1TP53
SCHEMBL5699158 0.83 TSHR (0.35) THRBTSHRHPGD
SCHEMBL5698992 0.82 TSHR (0.37) THRBTSHRHPGD
SCHEMBL5699084 0.80 TSHR (0.35) THRBTSHRHPGDALDH1A1TP53
SCHEMBL5699055 0.78 TSHR (0.35) THRBTSHRALDH1A1
SCHEMBL7568455 0.75 TSHR (0.39) THRBTSHRHPGDALDH1A1TP53
SCHEMBL5699082 0.73 TSHR (0.42) THRBTSHRHPGDALDH1A1TP53
SCHEMBL7568811 0.72 TSHR (0.37) THRBTSHRHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1238980-B1 Silyl (meth)acrylates having bulky substituent group and preparation thereof SHINETSU CHEMICAL CO (JP) 2006-06-14 EP disclosed
US-6498264-B2 REACTING A CHLOROSILANE COMPOUND WITH ACRYLIC OR METHACRYLIC ACID IN THE PRESENCE OF A BASIC COMPOUND; PROTECTIVE HYDROLYSABLE COATINGS FOR SHIP BOTTOMS; NONTOXIC; POLLUTION CONTROL; KINETICS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-12-24 US disclosed
EP-1238980-A1 Silyl (meth)acrylates having bulky substituent group and preparation thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-09-11 EP disclosed