SCHEMBL16257613

SCHEMBL16257613

CC(C)(C)OC(=O)N1[C@H](CBr)[C@H]2OC(C)(C)O[C@H]2[C@@H]1c1c[nH]c2c(Cl)ncnc12

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
SCHEMBL15525795 0.93 PNP (0.32) —
SCHEMBL18558183 0.93 PNP (0.32) —
SCHEMBL15525797 0.93 PNP (0.32) —
SCHEMBL16257610 0.86 — —
SCHEMBL6917371 0.81 MTAP (0.42) —
SCHEMBL15525761 0.79 — —
SCHEMBL15525862 0.79 — —
SCHEMBL15525861 0.79 — —
SCHEMBL15525347 0.79 PNP (0.35) —
SCHEMBL15525348 0.79 PNP (0.35) —

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-20170137429-A1 ANTI-INFLUENZA COMPOSITIONS AND METHODS BIOCRYST PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
US-20170137429-A1 ANTI-INFLUENZA COMPOSITIONS AND METHODS BIOCRYST PHARMACEUTICALS, INC. 2017-05-18 — — US disclosed
US-9499554-B2 Anti-influenza compositions and methods BIOCRYST PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-9499554-B2 Anti-influenza compositions and methods BIOCRYST PHARMACEUTICALS, INC. (US) 2016-11-22 — — US disclosed
US-20160096842-A1 ANTI-INFLUENZA COMPOSITIONS AND METHODS WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-04-07 — — US disclosed
US-20160096842-A1 ANTI-INFLUENZA COMPOSITIONS AND METHODS WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-04-07 — — US disclosed
WO-2014186465-A1 ANTI-INFLUENZA COMPOSITIONS AND METHODS BIOCRYST PHARMACEUTICALS, INC. (US) 2014-11-20 — — WO disclosed
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