SCHEMBL8778769

SCHEMBL8778769

CCCCCCCCCS(=O)(=O)CCCCCCC

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.68
FAAH O00519 5/20 0.62
CES1 P23141 5/20 0.54
CES2 O00748 2/20 0.54
TSHR P16473 1/20 0.50
THRB P10828 1/20 0.50

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
SCHEMBL5379286 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL10336189 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL8778833 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL395321 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL5586100 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL8778750 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL11058951 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL393510 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL350042 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR
SCHEMBL8778763 1.00 CA2 (0.68) CA2FAAHCES1CES2TSHR

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-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US claimed
EP-0602914-B1 Ink compositions for ink jet printing XEROX CORP (US) 1997-11-12 EP disclosed
EP-0602914-A1 Ink compositions for ink jet printing XEROX CORPORATION (US) 1994-06-22 EP disclosed
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US disclosed