SCHEMBL7511201

SCHEMBL7511201

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 2/20 0.52
HPGD P15428 1/20 0.51
TP53 P04637 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 2/20 0.37
ATM Q13315 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCAR2 Q8TDS4 2/20 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
SCHEMBL1014595 0.82 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2496766 0.81 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11075912 0.80 ALDH1A1 (0.45) TSHRALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5406669 0.80 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL336349 0.80 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7508195 0.79 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2608176 0.79 TSHR (0.69) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL712069 0.78
SCHEMBL705063 0.78
SCHEMBL229761 0.78 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53

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-0753521-B1 Process for distilling crude acrylic silane solution CHISSO CORP (JP) 2002-01-02 EP disclosed
US-6307081-B1 MACROMONOMER HAS ONE OR MORE SILICON-BONDED HYDROGEN ATOMS AT ONE MOLECULAR CHAIN TERMINAL, AND ONE OR MORE ALIPHATICALLY UNSATURATED SILICON-BONDED ORGANIC GROUPS AT THE OTHER MOLECULAR CHAIN TERMINAL. DOW CORNING SILICONE COMPANY, LTD. (JP) 2001-10-23 US disclosed
US-5824195-A USING N-NITROSOPHENYLHYDROXYLAMINE SALT AND/OR COPPER DIALKYLDITHIOCARBAMATE SYNERGISTIC MIXTURE AS POLYMERIZATION INHIBITORS CHISSO CORPORATION (JP) 1998-10-20 US disclosed
EP-0753521-A2 Process for distilling crude acrylic silane solution Chisso Corporation (JP) 1997-01-15 EP disclosed