SCHEMBL3518545

SCHEMBL3518545

C=C(C)C(=O)OCCOC(C)[PH](=O)OCC[N+](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
CHRM5 P08912 4/20 0.39
CHRM1 P11229 4/20 0.39
CHRM3 P20309 4/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
TSHR P16473 4/20 0.39
ACHE P22303 5/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTR1A P08908 2/20 0.37
CHRNB2 P17787 2/20 0.37
CHRNA7 P36544 2/20 0.37
CHRNA4 P43681 2/20 0.37
ADRA2A P08913 1/20 0.37
ADRA1A P35348 1/20 0.37
PGR P06401 1/20 0.37
TBXA2R P21731 1/20 0.37
CHRNB4 P30926 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
SCHEMBL572696 0.83 CHRM1 (0.37) THRBCHRM5CHRM1CHRM3MAPT
SCHEMBL6278177 0.80 THRB (0.46) THRBCHRM5CHRM1CHRM3MAPT
SCHEMBL80351 0.76 CHRM5 (0.44) THRBCHRM5CHRM1CHRM3MAPT
SCHEMBL180003 0.75 CHRM5 (0.65) THRBCHRM5CHRM1CHRM3MAPT
Hydrochloric Acid SCHEMBL30183040 0.75 CHRM5 (0.65) THRBCHRM5CHRM1CHRM3MAPT
Hydrochloric Acid SCHEMBL15954 0.75 CHRM5 (0.65) THRBCHRM5CHRM1CHRM3MAPT
SCHEMBL28355454 0.75 CHRM1 (0.40) CHRM5CHRM1CHRM3MAPTBLM
SCHEMBL28874164 0.74 TSHR (0.46) THRBCHRM5CHRM1CHRM3MAPT
SCHEMBL3518542 0.74 THRB (0.47) THRBCHRM5CHRM1CHRM3MAPT
Hydrochloric Acid SCHEMBL9492830 0.74 CHRM5 (0.63) THRBCHRM5CHRM1CHRM3MAPT

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-8765417-B2 Method of elongating DNA through immobilizing primer DNA chains on a substrate, a method of amplifying a DNA chain SUMITOMO BAKELITE CO., LTD. (JP) 2014-07-01 US disclosed
EP-1820857-B1 DNA CHAIN ELONGATION METHOD, DNA CHAIN AMPLIFICATION METHOD AND MICROARRAY FOR DNA CHAIN ELONGATION SUMITOMO BAKELITE CO (JP) 2010-09-22 EP disclosed
US-20080032348-A1 Method of Elongating Dna Chain, Method of Amplifying Dna Chain, and Microarray for Dna Chain Elongation DNA CHIP RESEARCH INC. (JP) 2008-02-07 US disclosed
EP-1820857-A1 DNA CHAIN ELONGATION METHOD, DNA CHAIN AMPLIFICATION METHOD AND MICROARRAY FOR DNA CHAIN ELONGATION Sumitomo Bakelite Company, Limited (JP) 2007-08-22 EP disclosed