SCHEMBL11459181

SCHEMBL11459181

[O]C(=O)C[S+]([O-])CC(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.30

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
SCHEMBL11393456 0.83 ACLY (0.32)
SCHEMBL11223444 0.81
SCHEMBL11386665 0.81
SCHEMBL11223448 0.81
SCHEMBL7049572 0.76
SCHEMBL777370 0.74
SCHEMBL11574622 0.74
SCHEMBL7049576 0.70
SCHEMBL777956 0.67
SCHEMBL7054475 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4236001-A 7β-Acyloxy-3-heterocyclicthiomethyl cephalosporins SMITHKLINE CORPORATION (US) 1980-11-25 US disclosed
US-4218564-A 7β-Hydroxy-3-heterocyclicthio-methyl cephalosporin intermediates SMITHKLINE CORPORATION (US) 1980-08-19 US disclosed
US-4158733-A 7β-Acyloxy-3-acetoxymethyl cephalosporins SMITHKLINE CORPORATION (US) 1979-06-19 US disclosed
US-4131734-A 7β-Acyloxy-3-heterocyclicthiomethyl cephalosporins SMITHKLINE CORPORATION (US) 1978-12-26 US disclosed
US-4020057-A 7β-Acyloxy cephalosporins SMITHKLINE CORPORATION (US) 1977-04-26 US disclosed