SCHEMBL12367245

SCHEMBL12367245

CC1(C)CC(N=C=O)CC(C)(CNC(=O)OCCOCCOCC2CO2)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.41

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
SCHEMBL12367246 0.90 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHR
SCHEMBL17880835 0.85 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHR
SCHEMBL12367248 0.84 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHR
SCHEMBL23710790 0.84 ALDH1A1 (0.49) ALDH1A1CYP3A4TSHR
SCHEMBL13971019 0.83 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHR
SCHEMBL12390255 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHR
SCHEMBL24027612 0.81 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHR
SCHEMBL92146 0.81 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHR
SCHEMBL12367247 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4TSHR
SCHEMBL12384882 0.80 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989651-B2 trimethoxysilylpropyl-carbamic acid oxiranylmethyl ester; reacting glycidol with gamma-isocyanatopropyltriethoxysilane in presence of dibutyltin laurate catalyst MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-08-02 US disclosed
US-20080221238-A1 Epoxysilanes, processes for their manufacture and curable compositions containing same MOMENTIVE PERFORMANCE MATERIALS INC. 2008-09-11 US disclosed