SCHEMBL16295339

SCHEMBL16295339

C=C(C)C(=O)OCCNC(C)(O)CO

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL7181444 0.84 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26306 0.82 THRB (0.48) THRBTSHRALDH1A1POLBAPEX1
Hydrochloric Acid SCHEMBL1396466 0.81 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
Bromide SCHEMBL11526296 0.81 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
Fluoride SCHEMBL8582115 0.81 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL8175481 0.78 ALDH1A1 (0.52) THRBTSHRALDH1A1POLBAPEX1
1,1-Dichloroethene SCHEMBL10925544 0.78 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL9990494 0.78 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL20240911 0.78 THRB (0.49) THRBTSHRALDH1A1POLBAPEX1
Methacrylic Acid SCHEMBL8170359 0.78 THRB (0.44) 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
EP-3030592-A1 HYDROPHILIC COATINGS FORMED BY ATMOSPHERIC CO2 REACTION Empire Technology Development LLC (US) 2016-06-15 EP disclosed
WO-2014200484-A1 HYDROPHILIC COATINGS FORMED BY ATMOSPHERIC CO2 REACTION EMPIRE TECHNOLOGY DEVELOPMENT LLC (US) 2014-12-18 WO disclosed