SCHEMBL975448

SCHEMBL975448

CCCO[C@@H]1C=C(C(=O)OC)C[C@H](N)[C@H]1NC(=O)CC

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
SCHEMBL973604 0.82 MEN1 (0.60)
SCHEMBL4082947 0.81
SCHEMBL14950040 0.78
SCHEMBL972091 0.75
SCHEMBL1255188 0.72 MEN1 (0.59)
SCHEMBL972924 0.71 MEN1 (0.73)
SCHEMBL190974 0.71 MEN1 (0.73)
SCHEMBL972516 0.71 MEN1 (0.50)
SCHEMBL18968566 0.70
SCHEMBL973354 0.70 MEN1 (0.60)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304553-B2 Method of forming oseltamivir and derivatives thereof NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-11-06 US disclosed
US-20110021762-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2011-01-27 US disclosed
WO-2009078813-A1 METHOD OF FORMING OSELTAMIVIR AND DERIVATIVES THEREOF NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2009-06-25 WO disclosed