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SCHEMBL10938501

SCHEMBL10938501

C=C(C)C(=O)OCC(CC(=C)C(=O)OCCC)OC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.45
▸ THRB P10828 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL6235107 0.92 TSHR (0.54) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2030893 0.89 TSHR (0.63) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11058945 0.88 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7911797 0.88 TSHR (0.47) TSHRTHRBALDH1A1
Methacrylic Acid SCHEMBL7599834 0.88 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL7607962 0.88 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL7915479 0.88 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL7911912 0.85 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL8920121 0.84 TSHR (0.46) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL844666 0.83 TSHR (0.49) TSHRTHRBALDH1A1

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