SCHEMBL28215329

SCHEMBL28215329

C=C(C)C(=O)OC(=O)C(=C)C.C=C(C)C(=O)OCC(CC)(COC(=O)C(=C)C)COC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL23636 0.94 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28149678 0.94 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28120744 0.92 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10391726 0.92 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL5884750 0.92 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
Propane SCHEMBL28078056 0.92 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL1974751 0.91 THRB (0.41) THRBTSHRALDH1A1
Alcohol SCHEMBL9220453 0.90 THRB (0.46) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8850718 0.90 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28412602 0.90 THRB (0.53) 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-105556268-B Pressing detection device and pressing detection touch panel 三井化学株式会社 2018-05-25 CN disclosed