SCHEMBL5139727

SCHEMBL5139727

C=C(C)C(=O)OCCNC(C)(C)C.C=C(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TSHR P16473 3/20 0.41
KDM4E B2RXH2 4/20 0.37
POLB P06746 2/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.34
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TET2 Q6N021 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
Methacrylic Acid SCHEMBL8170359 0.89 THRB (0.44) THRBTSHRKDM4EPOLBGAA
SCHEMBL26306 0.87 THRB (0.48) THRBTSHRKDM4EPOLBGAA
Fluoride SCHEMBL8582115 0.86 THRB (0.47) THRBTSHRKDM4EPOLBGAA
Bromide SCHEMBL11526296 0.86 THRB (0.47) THRBTSHRKDM4EPOLBGAA
Hydrochloric Acid SCHEMBL1396466 0.86 THRB (0.47) THRBTSHRKDM4EPOLBGAA
1,1-Dichloroethene SCHEMBL10925544 0.83 THRB (0.44) THRBTSHRKDM4EPOLBGAA
SCHEMBL8175481 0.83 ALDH1A1 (0.52) THRBTSHRKDM4EPOLBGAA
Acrylic Acid SCHEMBL30601867 0.82 THRB (0.41) THRBTSHRKDM4EPOLBGAA
SCHEMBL6431278 0.81 THRB (0.47) THRBTSHRKDM4EPOLBGAA
SCHEMBL8091357 0.79 THRB (0.42) THRBTSHRPOLBALDH1A1APEX1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7862970-B2 Toner compositions with amino-containing polymers as surface additives XEROX CORPORATION (US) 2011-01-04 US disclosed
US-20060257775-A1 Toner compositions with amino-containing polymers as surface additives XEROX CORPORATION (US) 2006-11-16 US disclosed
US-6423460-B1 INORGANIC POLYMER AND ORGANOMETALLIC POLYMER BLEND OF XEROX CORPORATION 2002-07-23 US disclosed
US-6423461-B1 INORGANIC POLYMER AND ORGANOMETALLIC POLYMER BLEND OF POLYFERROCENES AND POLYPHOSPHAZENES XEROX CORPORATION 2002-07-23 US disclosed
US-6037091-A Carrier with ferrocene containing polymer XEROX CORPORATION (US) 2000-03-14 US disclosed
US-6004712-A CORE AND THEREOVER A POLYMER OF (1) METHYLMETHACRYLATE AND A MONOALKYL AMINOALKYL METHACRYLATE, OR (2) A POLYMER OF METHYLMETHACRYLATE AND DIALKYLAMINOALKYL METHACRYLATE, TONER AND DEVELOPER XEROX CORPORATION (US) 1999-12-21 US disclosed