SCHEMBL4062272

SCHEMBL4062272

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO[Si](C)(C)C(C)(C)C)N[C@H]2c1cn(Cc2ccccc2)c2c(OCc3ccccc3)nc(N(Cc3ccccc3)Cc3ccccc3)nc12

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
SCHEMBL4061384 0.82 — —
SCHEMBL15612873 0.76 — —
SCHEMBL19671093 0.76 GAA (0.30) —
SCHEMBL16884104 0.73 — —
SCHEMBL4061740 0.71 HCRTR2 (0.33) —
SCHEMBL4062389 0.69 DAPK1 (0.40) —
SCHEMBL15740282 0.68 — —
SCHEMBL15740287 0.65 HDAC6 (0.32) —
SCHEMBL15740281 0.64 — —
SCHEMBL15718621 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165564-B1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM IND RES LTD (NZ) 2009-03-11 — — EP claimed
US-7022852-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2006-04-04 — — US claimed
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2004-09-16 — — US claimed
EP-2077268-A1 Process for preparing inhibitors of nucleoside metabolism Industrial Research Limited (NZ) 2009-07-08 — — EP disclosed
EP-1165564-B1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM IND RES LTD (NZ) 2009-03-11 — — EP disclosed
US-7405297-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2008-07-29 — — US disclosed
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-07-12 — — US disclosed
US-7211677-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2007-05-01 — — US disclosed
US-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2006-04-27 — — US disclosed
US-7022852-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2006-04-04 — — US disclosed
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2004-09-16 — — US disclosed
US-6693193-B1 COUPLING AN N- AND O-PROTECTED 2,3-DIHYDROXY-PYRROLIDINE TO THE 2-POSITION AND DEPROTECTING INDUSTRIAL RESEARCH LIMITED (NZ) 2004-02-17 — — US disclosed
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