SCHEMBL7652463

SCHEMBL7652463

C=C(C(=O)O)C(=O)OCC.C=C(C=CC#N)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 1/20 0.45
MAPT P10636 3/20 0.39
CYP2C9 P11712 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
GLO1 Q04760 1/20 0.32
EGLN1 Q9GZT9 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
PTP4A1 Q93096 1/20 0.30
MIF P14174 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
SCHEMBL2260103 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMAPTCYP2C9HCAR2
Acrylic Acid SCHEMBL10969441 0.80 ALDH1A1 (0.46) ALDH1A1TSHRMAPTCYP2C9HCAR2
Methacrylic Acid SCHEMBL6231308 0.79 ALDH1A1 (0.42) ALDH1A1TSHRMAPTCYP2C9HCAR2
Vinyl Chloride SCHEMBL5430946 0.78 ALDH1A1 (0.47) ALDH1A1TSHRMAPTCYP2C9HCAR2
SCHEMBL268085 0.78
SCHEMBL150289 0.78 ALDH1A1 (0.55) ALDH1A1TSHRMAPTHCAR2NPSR1
Styrene SCHEMBL7698100 0.77 MAPT (0.40) ALDH1A1TSHRMAPTSMN1; SMN2MEN1
SCHEMBL28242248 0.76 ALDH1A1 (0.53) ALDH1A1TSHRMAPTHCAR2NPSR1
SCHEMBL28322753 0.76 ALDH1A1 (0.53) ALDH1A1TSHRMAPTHCAR2NPSR1
SCHEMBL27872379 0.76 ALDH1A1 (0.53) ALDH1A1TSHRMAPTHCAR2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413692-B1 COALESCING LATEX ENCAPSULATED COLORANT XEROX CORPORATION 2002-07-02 US claimed
US-6346358-B1 EMULSION POLYMERIZING MINIEMULSION OF MONOMER, COLORANT, IONIC SURFACTANT; ENCAPSULATION OF PIGMENT IN POLYMER SHELL; COALESCING OR FUSING OF AGGREGATES; ADDITION CO-, TER-, AND TETRAPOLYMERIZATION XEROX CORPORATION 2002-02-12 US claimed
US-6309787-B1 ENCAPSULATING USING EMULSION POLYMERIZATION XEROX CORPORATION 2001-10-30 US claimed
US-6455220-B1 AGGREGATING AND COALESCING ENCAPSULATED COLORANT IN PRESENCE OF COAGULANT, BLENDING WITH AT LEAST ONE TONER XEROX CORPORATION 2002-09-24 US disclosed
US-6413692-B1 COALESCING LATEX ENCAPSULATED COLORANT XEROX CORPORATION 2002-07-02 US disclosed
US-6346358-B1 EMULSION POLYMERIZING MINIEMULSION OF MONOMER, COLORANT, IONIC SURFACTANT; ENCAPSULATION OF PIGMENT IN POLYMER SHELL; COALESCING OR FUSING OF AGGREGATES; ADDITION CO-, TER-, AND TETRAPOLYMERIZATION XEROX CORPORATION 2002-02-12 US disclosed
US-6309787-B1 ENCAPSULATING USING EMULSION POLYMERIZATION XEROX CORPORATION 2001-10-30 US disclosed