SCHEMBL9560047

SCHEMBL9560047

C=C(C)C(=O)OCCO[Si](OC)(OC)OCCOC(=O)C(=C)C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL9559753 0.96 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL379171 0.96 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL65533 0.90 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL3366378 0.85 TSHR (0.58) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2228744 0.85 TSHR (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17391514 0.83 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17391608 0.83 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL17391455 0.83 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2028631 0.81 THRB (0.50) THRBTSHRALDH1A1POLBAPEX1
Methoxymethane SCHEMBL18258574 0.81 THRB (0.68) THRBTSHRALDH1A1POLBAPEX1

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
JP-5255349-A None JP disclosed
JP-H05255349-A PRODUCTION OF REACTIVE ORGANOSILICON COMPOUND NIPPON SHOKUBAI CO LTD 1993-10-05 JP disclosed