SCHEMBL4224656

SCHEMBL4224656

CCCCCCCCC#CC#CCCCCCC#CI

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.53
PTPN7 P35236 4/20 0.53
SELP P16109 1/20 0.43
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
KCNH2 Q12809 1/20 0.36

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
SCHEMBL4054911 0.93 PTPN7 (0.46) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL20838863 0.93 PTPN7 (0.46) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL10615871 0.93 PTPN7 (0.46) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL10803813 0.93 PTPN7 (0.46) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL10397037 0.93 PTPN7 (0.46) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL4059174 0.93
SCHEMBL17965713 0.93 PTPN7 (0.46) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL4053189 0.90
SCHEMBL9744103 0.87 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1
SCHEMBL5184571 0.87 HMGCR (0.64) HMGCRPTPN7SELPRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130280920-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-10-24 US disclosed
US-8465803-B2 Templated monolayer polymerization and replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-18 US disclosed
US-20120288626-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-15 US disclosed
US-8227035-B2 Templated monolayer polymerization and replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-07-24 US disclosed
US-20090326269-A1 Templated Monolayer Polymerization and Replication MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-12-31 US disclosed
US-7563482-B2 Nucleotide/oligonucleotide hybridization; mineralization; electroless plating MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-07-21 US disclosed
US-20080118644-A1 Nucleotide/oligonucleotide hybridization; mineralization; electroless plating MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-05-22 US disclosed
US-7311943-B2 Self-replicating monolayer system on a defined template; initial monolayer is patterned and used as a template for self-assembly of a second monolayer by molecular recognition; monomers such as hentriaconta-11,13,20,22-tetraynoic acid MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2007-12-25 US disclosed
US-20040076757-A1 Self-replicating monolayer system on a defined template; initial monolayer is patterned and used as a template for self-assembly of a second monolayer by molecular recognition; monomers such as hentriaconta-11,13,20,22-tetraynoic acid MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-04-22 US disclosed