SCHEMBL7670955

SCHEMBL7670955

O=Cc1cocc1S(=O)(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 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
SCHEMBL9129875 0.72
SCHEMBL25481631 0.67
SCHEMBL29563815 0.67 TDP1 (0.52) ERN1
SCHEMBL40458 0.67 TDP1 (0.52) ERN1
SCHEMBL1302666 0.65 TDP1 (0.50) ERN1
SCHEMBL30293806 0.65 TDP1 (0.50) ERN1
SCHEMBL224921 0.65 TDP1 (0.44) ERN1
SCHEMBL2986619 0.65 TDP1 (0.50) ERN1
SCHEMBL549939 0.65 TDP1 (0.50) ERN1
Water SCHEMBL8176347 0.65 TDP1 (0.50) ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6376540-B1 PREVENT NEURODEGENERATIVE DISEASE CENTAUR PHARMACEUTICALS, INC. 2002-04-23 US disclosed
EP-1021430-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 2000-07-26 EP disclosed
US-6051571-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS CENTAUR PHARMACEUTICALS, INC. (US) 2000-04-18 US disclosed
US-6040444-A Process for preparing furan nitrone compounds CENTAUR PHARMACEUTICALS, INC. (US) 2000-03-21 US disclosed
US-5942507-A REAGANTS FOR DETECTION FREE RADICALS CENTAUR PHARMACEUTICALS, INC. (US) 1999-08-24 US disclosed
WO-1998003496-A1 FURAN NITRONE COMPOUNDS CENTAUR PHARMACEUTICALS, INC. (US) 1998-01-29 WO disclosed