SCHEMBL7250931

SCHEMBL7250931

[O-][N+](=S)c1cc[c]cc1

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
SCHEMBL1818322 0.72 — —
SCHEMBL28333000 0.72 — —
SCHEMBL28139668 0.72 ALDH1A1 (0.55) —
SCHEMBL16031 0.72 — —
SCHEMBL26682618 0.70 ALDH1A1 (0.52) —
SCHEMBL27471364 0.70 ALDH1A1 (0.52) —
SCHEMBL27545466 0.70 ALDH1A1 (0.52) —
SCHEMBL28121738 0.70 ALDH1A1 (0.52) —
Hydrochloric Acid SCHEMBL1162175 0.70 ALDH1A1 (0.52) —
SCHEMBL27830139 0.70 ALDH1A1 (0.52) —

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-6632940-B1 Glycosidic coupling between donor and acceptor in presence of Bronsted or Lewis acid to form glucopyranose-D- glucopyranose LABORATOIRES GOEMAR (FR) 2003-10-14 — — US claimed
EP-1071692-B1 METHOD FOR LAMINARIBIOSE SYNTHESIS GOEMAR LAB SA (FR) 2002-07-31 — — EP claimed
US-4397861-A ANTIBIOTICS MERCK & CO., INC. (US) 1983-08-09 — — US claimed
US-6632940-B1 Glycosidic coupling between donor and acceptor in presence of Bronsted or Lewis acid to form glucopyranose-D- glucopyranose LABORATOIRES GOEMAR (FR) 2003-10-14 — — US disclosed
WO-1990008185-A1 MOLECULES WITH ANTIBODY COMBINING SITES THAT EXHIBIT STEREOSPECIFIC CATALYSIS SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1990-07-26 — — WO disclosed
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