SCHEMBL3295261

SCHEMBL3295261

CN(C(=O)OC(C)(C)C)C(CCCCNC(=O)OC(C)(C)C)(CCCNC(=O)OC(C)(C)C)C(CCCCCCNC(=O)CCCCCCCCCCC=CCCCCCCCCCCC=CCCCCCCCCCCCN=[N+]=[N-])CN(CCCC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

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
SCHEMBL3293809 0.86 CYP3A4 (0.32)
SCHEMBL3289322 0.85 CYP3A4 (0.32)
SCHEMBL3289724 0.82 TDP1 (0.44)
SCHEMBL3290477 0.78 CA1 (0.33)
SCHEMBL3294068 0.77 SIRT2 (0.42)
SCHEMBL3295251 0.74 EPHX2 (0.31)
SCHEMBL4524349 0.71 DRD2 (0.32)
SCHEMBL16349627 0.69 CA14 (0.46)
SCHEMBL3295245 0.68 SLC6A5 (0.31)
SCHEMBL4523624 0.68 TDP1 (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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718157-B1 Targeted lipid particles BAKER TERENCE SEWARD 2010-05-18 US disclosed
US-7531676-B2 Lipids CELLTECH R & D LIMITED (GB) 2009-05-12 US disclosed
US-20040024220-A1 Lipids CELLTECH R & D LIMITED 2004-02-05 US disclosed
US-6583301-B1 Bipolar; form complexes with polyanions; delivering bioactive substances such as nucleic acids to cells in vitro and in vivo CELLTECH R & D LIMITED (GB) 2003-06-24 US disclosed
EP-1204428-A2 TARGETED LIPID PARTICLES Celltech R&amp;D Limited (GB) 2002-05-15 EP disclosed
WO-2001012154-A2 TARGETED LIPID PARTICLES CELLTECH R&D LIMITED (GB) 2001-02-22 WO disclosed
EP-1070047-A2 LIPIDS Celltech Chiroscience Limited (GB) 2001-01-24 EP disclosed
WO-1999052858-A2 LIPIDS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-21 WO disclosed