SCHEMBL5139768

SCHEMBL5139768

C=C(C)C(=O)OCCN(CC)CC.C=C(CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
TSHR P16473 4/20 0.44
CYP2D6 P10635 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 2/20 0.38
CHRM1 P11229 2/20 0.38
CHRM3 P20309 2/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
PRCP P42785 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOA P21397 1/20 0.37
HTR3A P46098 1/20 0.37

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 SCHEMBL1060301 0.90 THRB (0.50) THRBTSHRCYP2D6LMNACYP1A2
Acetic Acid SCHEMBL10336380 0.89 THRB (0.52) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL14874 0.88 THRB (0.55) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL28273630 0.88 THRB (0.55) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL9800939 0.87 THRB (0.53) THRBTSHRCYP2D6LMNACYP1A2
Hydrochloric Acid SCHEMBL2847352 0.87 THRB (0.53) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL22684899 0.87 THRB (0.53) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL2008381 0.86 THRB (0.46) THRBTSHRLMNAALDH1A1SMN1; SMN2
Chloromethane SCHEMBL1128072 0.85 THRB (0.52) THRBTSHRCYP2D6LMNACYP1A2
SCHEMBL10697522 0.85 THRB (0.55) THRBTSHRCYP2D6LMNACYP1A2

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 4 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-6423461-B1 INORGANIC POLYMER AND ORGANOMETALLIC POLYMER BLEND OF POLYFERROCENES AND POLYPHOSPHAZENES XEROX CORPORATION 2002-07-23 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