SCHEMBL28087290

SCHEMBL28087290

C=C(C)C(=O)OCCOC(=O)C(=C)C.CC=C(C)C(=O)OCCO

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.37
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 3/20 0.32
CA2 P00918 3/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL284255 0.92 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15074980 0.92 THRB (0.59) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL7039606 0.90 THRB (0.57) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15637 0.88 TSHR (0.43) THRBTSHRALDH1A1ACHE
SCHEMBL28569697 0.88 TSHR (0.43) THRBTSHRALDH1A1ACHE
SCHEMBL285423 0.88 TSHR (0.43) THRBTSHRALDH1A1ACHE
SCHEMBL7623060 0.88 THRB (0.63) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5849571 0.87 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1756521 0.87 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10495574 0.87 THRB (0.63) 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
CN-102858940-B Delivery particles 宝洁公司 2017-05-03 CN disclosed
CN-103589530-B Delivery of particles 宝洁公司 2016-08-24 CN disclosed