SCHEMBL28082652

SCHEMBL28082652

C=C(C)C(=O)OCCCOS(=O)(=O)CCCOC(=O)C(=C)C.[MgH2]

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.50
▸ THRB P10828 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.34
▸ CA2 P00918 1/20 0.33

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
SCHEMBL28020460 0.90 TSHR (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28820019 0.89 TSHR (0.46) TSHRTHRBPOLBAPEX1HTT
SCHEMBL27497938 0.89 TSHR (0.57) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28999876 0.88 TSHR (0.61) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28999873 0.87 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
SCHEMBL10150487 0.87 TSHR (0.54) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28999875 0.86 TSHR (0.63) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28999874 0.84 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL28192347 0.84 TSHR (0.66) TSHRTHRBPOLBAPEX1HTT
SCHEMBL29263434 0.84 TSHR (0.60) TSHRTHRBPOLBAPEX1HTT

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
CN-105814092-A Composition for hydrophilic cured product 三井化学株式会社 2016-07-27 — — CN disclosed
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