SCHEMBL6890961

CCCCN(C(=O)OC(C)(C)C)C(NC(=O)OC(C)(C)C)(C(CCCCCCCS(=O)(=O)O)CN(CCCC(NC(=O)OC(C)(C)C)N(CCC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)N(CCC)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
SCHEMBL6888533	0.91	CTSK (0.30)	—
SCHEMBL7265947	0.90	—	—
SCHEMBL3288194	0.81	CAPN1 (0.32)	—
SCHEMBL6889549	0.75	CTSK (0.33)	—
SCHEMBL6889561	0.72	CA12 (0.37)	—
SCHEMBL6889555	0.70	CA14 (0.35)	—
SCHEMBL6889560	0.66	CA14 (0.37)	—
SCHEMBL3289713	0.66	—	—
SCHEMBL6890969	0.66	TDP1 (0.33)	—
SCHEMBL3290465	0.66	—	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-20040024220-A1	Lipids	CELLTECH R & D LIMITED	2004-02-05	—	—	US	disclosed