SCHEMBL12349771

SCHEMBL12349771

C=C(C)C(=O)OCCC[Si]1(C)C[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O[Si](C)(CCCOC(=O)C(=C)C)O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4917872 0.89 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL526560 0.89 TSHR (0.53) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15682455 0.86 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL17460853 0.86 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL15369485 0.84 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2368263 0.84 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9764025 0.84 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9763990 0.84 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2368508 0.84 TSHR (0.56) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9764053 0.84 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1

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-20110190467-A1 Biological Polysiloxanes VISION CRC LIMITED (AU) 2011-08-04 US disclosed