SCHEMBL9862364

SCHEMBL9862364

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

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
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 0.33

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
SCHEMBL11276369 0.83 TSHR (0.41) TSHRALDH1A1THRB
SCHEMBL11278056 0.77 TSHR (0.38) TSHRTHRB
SCHEMBL374776 0.75 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL712918 0.75 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL331043 0.75 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL344379 0.75 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL3597832 0.74 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL11293409 0.74 TSHR (0.36) TSHRTHRB
SCHEMBL395328 0.73 TSHR (0.55) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL395892 0.73 TSHR (0.55) 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
US-5032658-A Hardness, unsaturated ester POLYMER TECHNOLOGY CORPORATION (US) 1991-07-16 US disclosed