SCHEMBL8175481

SCHEMBL8175481

C=C(C)C(=O)OC.C=C(C)C(=O)OCCNC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
GAA P10253 1/20 0.36
POLB P06746 2/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL26306 0.95 THRB (0.48) ALDH1A1THRBTSHRGAAPOLB
Bromide SCHEMBL11526296 0.93 THRB (0.47) ALDH1A1THRBTSHRGAAPOLB
Fluoride SCHEMBL8582115 0.93 THRB (0.47) ALDH1A1THRBTSHRGAAPOLB
Hydrochloric Acid SCHEMBL1396466 0.93 THRB (0.47) ALDH1A1THRBTSHRGAAPOLB
1,1-Dichloroethene SCHEMBL10925544 0.90 THRB (0.44) ALDH1A1THRBTSHRGAAPOLB
Methacrylic Acid SCHEMBL8170359 0.90 THRB (0.44) ALDH1A1THRBTSHRGAAPOLB
SCHEMBL6431278 0.88 THRB (0.47) ALDH1A1THRBTSHRGAAPOLB
SCHEMBL28478071 0.87 THRB (0.40) ALDH1A1THRBTSHRGAAPOLB
Acrylic Acid Ethyl Ester SCHEMBL11155926 0.86 THRB (0.41) ALDH1A1THRBTSHRPOLBKDM4E
SCHEMBL7181444 0.86 THRB (0.47) ALDH1A1THRBTSHRPOLBAPEX1

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-1862398-B Toner compositions with amino-containing polymers as surface additives XEROX CORP 2012-07-18 CN disclosed
US-6051354-A MIXING IN A HIGH SHEAR DEVICE A CARRIER CORE AND A CARRIER COATING, AND WHEREIN SAID HIGH SHEAR DEVICE CONTAINS IMPELLERS. XEROX CORPORATION (US) 2000-04-18 US disclosed