SCHEMBL9912323

SCHEMBL9912323

CCCCOC[C@H]1O[C@@H](c2ccc(C#N)n2N)[C@](C)(OCCCC)[C@@H]1OCCCC

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
SCHEMBL11924456 1.00 — —
SCHEMBL13696396 1.00 — —
SCHEMBL9912326 0.85 — —
SCHEMBL11924464 0.85 — —
SCHEMBL13696402 0.85 — —
SCHEMBL12389152 0.83 — —
SCHEMBL13392130 0.83 — —
SCHEMBL14038379 0.77 SMN1; SMN2 (0.33) —
SCHEMBL11924463 0.76 DOT1L (0.30) —
SCHEMBL9912348 0.76 DOT1L (0.30) —

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-8440813-B2 Antiviral nucleoside analogs BIOCRYST PHARMACEUTICALS, INC. (US) 2013-05-14 — — US disclosed
EP-2114980-B1 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARM INC (US) 2012-06-27 — — EP disclosed
US-20120142617-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-07 — — US disclosed
US-20100015094-A1 ANTIVIRAL NUCLEOSIDE ANALOGS WILMINGTON TRUST, NATIONAL ASSOCIATION 2010-01-21 — — US disclosed
WO-2009111653-A2 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-11 — — WO disclosed
US-20090227524-A1 ANTIVIRAL THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2009-09-10 — — US disclosed
WO-2008089105-A2 ANTIVIRAL NUCLEOSIDE ANALOGS BIOCRYST PHARMACEUTICALS, INC. (US) 2008-07-24 — — WO disclosed
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