SCHEMBL5319446

SCHEMBL5319446

[O-][S+]1c2ccccc2Cc2c(CCBr)cccc21

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.34

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
SCHEMBL1042034 0.88 PNMT (0.36) PNMT
SCHEMBL2312884 0.85 PNMT (0.34) PNMT
SCHEMBL2401855 0.85 PNMT (0.34) PNMT
SCHEMBL2419729 0.82 LIPG (0.33) PNMT
SCHEMBL8500895 0.82 PNMT (0.33) PNMT
SCHEMBL166481 0.81 PNMT (0.36) PNMT
SCHEMBL11002342 0.81 PNMT (0.36) PNMT
SCHEMBL7943734 0.81 PNMT (0.36) PNMT
SCHEMBL11049873 0.81 PNMT (0.32) PNMT
SCHEMBL156108 0.80 LIPG (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007092935-A1 HYDROXYALKYLAMINOALKYLTHIOXANTHONES ALBEMARLE CORPORATION (US) 2007-08-16 WO claimed
WO-2007092935-A1 HYDROXYALKYLAMINOALKYLTHIOXANTHONES ALBEMARLE CORPORATION (US) 2007-08-16 WO disclosed