SCHEMBL4238696

SCHEMBL4238696

C#CCCCCCC#CC#CCCCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.53
PTPN7 P35236 4/20 0.53
SELP P16109 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL28334123 0.90 PTPN7 (0.50) HMGCRPTPN7KDM4EALDH1A1HPGD
SCHEMBL56398 0.87
SCHEMBL1470569 0.87 TSHR (0.50) HMGCRPTPN7TSHRTHRBLMNA
SCHEMBL1470524 0.87 TSHR (0.50) HMGCRPTPN7TSHRTHRBLMNA
SCHEMBL514779 0.87 TSHR (0.50) HMGCRPTPN7TSHRTHRBLMNA
SCHEMBL730035 0.87 TSHR (0.50) HMGCRPTPN7TSHRTHRBLMNA
SCHEMBL1470503 0.87 TSHR (0.50) HMGCRPTPN7TSHRTHRBLMNA
SCHEMBL67396 0.87 TSHR (0.50) HMGCRPTPN7TSHRTHRBLMNA
SCHEMBL12500356 0.87 TSHR (0.50) HMGCRPTPN7TSHRTHRBLMNA
SCHEMBL2873944 0.87 TSHR (0.50) HMGCRPTPN7TSHRTHRBLMNA

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