SCHEMBL894866

SCHEMBL894866

CCCCCCCCCCCCCCS(=O)(=O)Nc1ccccc1C(=O)O

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
SCHEMBL30585369 1.00 — —
SCHEMBL897672 1.00 — —
SCHEMBL9188293 1.00 — —
SCHEMBL26247587 1.00 — —
SCHEMBL26247580 1.00 — —
SCHEMBL26247584 1.00 — —
SCHEMBL8609056 0.99 — —
SCHEMBL13743071 0.94 — —
SCHEMBL11667006 0.88 — —
SCHEMBL1492018 0.88 KCNA5 (0.64) —

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
CN-102395270-B Novel compounds, pharmaceutical compositions containing same, methods of use for same, and methods for preparing same FASGEN INC 2014-11-12 — — CN disclosed
US-20120083471-A1 Novel Compounds, Pharmaceutical Compositions Containing Same, Methods of Use for Same, and Methods for Preparing Same FAS SECURED CREDITORS HOLDCO, LLC 2012-04-05 — — US disclosed
CN-102395270-A Novel compounds, pharmaceutical compositions containing same, methods of use for same, and methods for preparing same FASGEN INC 2012-03-28 — — CN disclosed
EP-2303013-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF USE FOR SAME, AND METHODS FOR PREPARING SAME Fasgen, Inc. (US) 2011-04-06 — — EP disclosed
WO-2010005922-A1 NOVEL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME, METHODS OF USE FOR SAME, AND METHODS FOR PREPARING SAME FASGEN, INC. (US) 2010-01-14 — — WO disclosed
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