SCHEMBL13686243

SCHEMBL13686243

CN(C)CCC[N+](C)(C)CCCN1C=C/C(=C\c2sc3cc(S(=O)(=O)N(C)CC[N+](C)(C)C)ccc3[n+]2C)c2ccccc21

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
SCHEMBL15198298 0.93 — —
SCHEMBL13686276 0.92 — —
SCHEMBL13686242 0.90 — —
SCHEMBL13686285 0.89 — —
SCHEMBL13686239 0.86 KDM4E (0.38) —
SCHEMBL15198322 0.82 KDM4E (0.39) —
SCHEMBL13686614 0.81 — —
SCHEMBL3944197 0.79 MAPT (0.36) —
SCHEMBL3944198 0.79 MAPT (0.36) —
Iodide SCHEMBL3010355 0.78 MEN1 (0.33) —

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-8674102-B2 Fluorescent dyes ENZO LIFE SCIENCES, INC. (US) 2014-03-18 — — US disclosed
US-20130217059-A1 FLUORESCENT DYES ENZO LIFE SCIENCES, INC. (US) 2013-08-22 — — US disclosed
US-20130209994-A1 FLUORESCENT DYES ENZO LIFE SCIENCES, INC. (US) 2013-08-15 — — US disclosed
US-8357801-B2 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits ENZO LIFE SCIENCES, INC. (US) 2013-01-22 — — US disclosed
US-20090226954-A1 Labeling of target molecules, identification of organelles and other applications, novel compositions, methods and kits ENZO LIFE SCIENCES, INC. 2009-09-10 — — US disclosed
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