SCHEMBL28933796

SCHEMBL28933796

C=C(C)C(=O)OCCC1C(F)OC1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL27623296 0.76 ALDH1A1 (0.50) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL818730 0.75 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL243039 0.74 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL245966 0.74 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28083745 0.72 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5858338 0.72 TSHR (0.51) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL15636 0.72 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL6142874 0.72 THRB (0.74) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL352927 0.71 ALDH1A1 (0.68) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20505422 0.71 ALDH1A1 (0.68) 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
CN-111656564-B Binder composition for electrochemical device, slurry composition for electrochemical device, functional layer for electrochemical device, and electrochemical device 日本瑞翁株式会社 2022-12-06 CN disclosed