SCHEMBL869154

SCHEMBL869154

C[n+]1cccc(C2=CC3=CC4=NC(=CC5=NC(=CC6=NC(=C(c7ccc[n+](C)c7)C2=N3)C(c2ccc[n+](C)c2)=C6c2ccc[n+](C)c2)C=C5)C=C4)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
SCHEMBL3799009 0.84 — —
SCHEMBL11869329 0.80 — —
SCHEMBL613742 0.80 — —
SCHEMBL11018793 0.80 — —
SCHEMBL28026975 0.80 — —
SCHEMBL23704657 0.80 — —
SCHEMBL16440032 0.80 — —
Hydrochloric Acid SCHEMBL3190944 0.80 — —
Water SCHEMBL28237488 0.80 — —
SCHEMBL268108 0.80 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243294-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES DUKE UNIVERSITY (US) 2014-08-28 — — US disclosed
US-8759324-B2 Method of activation of oxazaphosphorines DUKE UNIVERSITY (US) 2014-06-24 — — US disclosed
US-20130172296-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES UNIV DUKE (US) 2013-07-04 — — US disclosed
US-8399434-B2 Method of activation of oxazaphosphorines DUKE UNIVERSITY (US) 2013-03-19 — — US disclosed
US-20120077782-A9 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES DUKE UNIVERSITY (US) 2012-03-29 — — US disclosed
US-20090318388-A1 METHOD OF ACTIVATION OF OXAZAPHOSPHORINES DUKE UNIVERSITY (US) 2009-12-24 — — US disclosed
WO-2008073195-A2 METHOD FOR ACTIVATION OF OXAZAPHOSPHORINES DUKE UNIVERSITY (US) 2008-06-19 — — WO disclosed
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