SCHEMBL4449834

SCHEMBL4449834

CCCCCCCCCCCCCCCCCCOC=O.CCCCN(CCCC)CCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
TSHR P16473 1/20 0.37
KDM5A P29375 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM4C Q9H3R0 1/20 0.37
CA1 P00915 5/20 0.35
CA2 P00918 5/20 0.35
CA9 Q16790 5/20 0.35
LPAR3 Q9UBY5 3/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR2 Q9HBW0 2/20 0.35
BCHE P06276 2/20 0.35
ACHE P22303 1/20 0.35
NAAA Q02083 1/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35

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
SCHEMBL5535070 0.96 ADH1C (0.39) THRATHRBTSHRKDM5APHF8
SCHEMBL5540536 0.96 ADH1C (0.39) THRATHRBTSHRKDM5APHF8
SCHEMBL5543608 0.96 THRA (0.39) THRATHRBKDM5APHF8KDM4C
SCHEMBL5720373 0.92 LMNA (0.39) THRATHRBTSHRKDM5ACA1
SCHEMBL5542296 0.89 KCNH2 (0.39) KDM5AKDM4C
SCHEMBL5539296 0.88 MAOA (0.39) THRATHRBBCHEACHE
Heptyl Formate SCHEMBL93149 0.87 TSHR (0.46) THRBTSHRCA1CA2CA9
Hexyl Formate SCHEMBL59493 0.87
SCHEMBL2857805 0.87 TSHR (0.46) THRBTSHRCA1CA2CA9
SCHEMBL55804 0.87 TSHR (0.46) THRBTSHRCA1CA2CA9

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
EP-1742283-B1 METHOD FOR PRODUCING CATALYST FOR FUEL CELL NISSAN MOTOR (JP) 2013-04-17 EP disclosed
US-7569509-B2 Method for producing catalyst for fuel cell NISSAN MOTOR CO., LTD. (JP) 2009-08-04 US disclosed
US-20070231620-A1 Platinum/iridium alloy; forming inverted micelle consisting of aqueous solution containing iridium compound clathrated by surfactant, by mixing organic solvent containing surfactant NISSAN MOTOR CO., LTD. (JP) 2007-10-04 US disclosed
EP-1742283-A1 METHOD FOR PRODUCING CATALYST FOR FUEL CELL NISSAN MOTOR COMPANY, LIMITED (JP) 2007-01-10 EP disclosed