SCHEMBL10944852

SCHEMBL10944852

C=C(C)C(=O)OCCOC.C=C(C[SiH3])C(=O)OCCC

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
TSHR P16473 4/20 0.47
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3829258 0.85 TSHR (0.42) THRBTSHRALDH1A1TDP1
Hydroxyl Radical SCHEMBL28295756 0.83 THRB (0.61) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7521412 0.81 TSHR (0.62) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27357 0.81 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL27955551 0.79 TSHR (0.60) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL16573 0.79
SCHEMBL21772349 0.79 TSHR (0.69) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10599895 0.78 TSHR (0.70) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL8572537 0.77 TSHR (0.67) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL31029924 0.77 TSHR (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4507452-A HIGH OXYGEN PERMEABILITY, REDUCED TENDENCY FOR BIOLOGICAL CONTAMIN McCarry, John D. (US) 1985-03-26 US disclosed