SCHEMBL12085083

SCHEMBL12085083

C=C(C)C(=O)OCCOC(=O)NCC(C)(C)CC(C)CCN

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
TSHR P16473 3/20 0.35
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA4 P43681 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
SCHEMBL12920727 0.89 TSHR (0.42) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL181998 0.89 THRB (0.37) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL10331181 0.86 THRB (0.42) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL13464044 0.86 THRB (0.35) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL21547311 0.86 THRB (0.35) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL5693856 0.86 THRB (0.35) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL28572695 0.86 THRB (0.40) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL17075532 0.86 THRB (0.40) THRBTSHRCHRNB2CHRNB4CHRNA3
SCHEMBL4094910 0.86 TSHR (0.43) THRBTSHR
SCHEMBL18558149 0.86 THRB (0.35) THRBTSHRCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012127698-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND PLATE MAKING METHOD THEREOF FUJIFILM CORPORATION (JP) 2012-09-27 WO disclosed
US-8257913-B2 Processing method of lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-09-04 US disclosed
US-20090148793-A1 PROCESSING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-06-11 US disclosed