SCHEMBL3288250

CCCCN(C(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)C(CCCCCCNC(=O)CCCCCCCCCCCCCCCCCCCCCCCNC(=O)CCC(=O)N(C1(N(C(C)=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)COO1)C1(N(C(C)=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)COO1)CN(CCCCNC(=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.

Compound	similarity	top predicted	shared targets
SCHEMBL3294310	0.83	CAPN1 (0.35)	—
SCHEMBL3295787	0.83	CAPN1 (0.35)	—
SCHEMBL3288125	0.83	CAPN1 (0.35)	—
SCHEMBL3287677	0.83	CAPN1 (0.33)	—
SCHEMBL3293178	0.79	DRD2 (0.35)	—
SCHEMBL4535860	0.79	—	—
SCHEMBL4523800	0.78	CAPN1 (0.36)	—
SCHEMBL3288380	0.73	TDP1 (0.46)	—
SCHEMBL3290841	0.73	CA14 (0.36)	—
SCHEMBL6889555	0.71	CA14 (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 4 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
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