SCHEMBL8776046

SCHEMBL8776046

O=S(=O)=C1C=CC(O)=[N+]([O-])C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL5454723 0.58
SCHEMBL3470037 0.57
SCHEMBL8776053 0.57
SCHEMBL11116699 0.55
SCHEMBL9153986 0.52
SCHEMBL9153979 0.52
SCHEMBL7946821 0.51
SCHEMBL7028994 0.49
SCHEMBL6580989 0.49
SCHEMBL1023491 0.47

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
EP-0807254-A1 LUMINESCENT PROBES FOR PROTEIN DETECTION TRUSTEES OF BOSTON UNIVERSITY (US) 1997-11-19 EP claimed
WO-1997020213-A1 LUMINESCENT PROBES FOR PROTEIN DETECTION TRUSTEES OF BOSTON UNIVERSITY (US) 1997-06-05 WO claimed
EP-0807254-A1 LUMINESCENT PROBES FOR PROTEIN DETECTION TRUSTEES OF BOSTON UNIVERSITY (US) 1997-11-19 EP disclosed
WO-1997020213-A1 LUMINESCENT PROBES FOR PROTEIN DETECTION TRUSTEES OF BOSTON UNIVERSITY (US) 1997-06-05 WO disclosed