SCHEMBL8778820

SCHEMBL8778820

CCCCCCCCS(=O)(=O)CCC

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.62
FAAH O00519 5/20 0.56
CES1 P23141 5/20 0.50
CES2 O00748 2/20 0.50
TSHR P16473 1/20 0.44
THRB P10828 1/20 0.44

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
SCHEMBL5389334 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL18643527 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL5383600 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL8957776 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL8778782 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL7739945 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL5384235 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL8778722 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL8778834 1.00 CA2 (0.62) CA2FAAHCES1CES2TSHR
SCHEMBL8485736 0.97 CA2 (0.58) CA2FAAHCES1CES2

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