SCHEMBL16358485

CC(CCNC(=O)OCCOCCC[Si]1=CC[Si](C)(CCCOCCOC(=O)NCCC(C)N2CC2)O[Si](C)(CCCOCCOC(=O)NCCC(C)N2CC2)O[Si](C)(CCCOCCOC(=O)NCCC(C)N2CC2)O[Si](C)(CCCOCCOC(=O)NCCC(C)N2CC2)O1)N1CC1

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
SCHEMBL12254902	0.84	HRH3 (0.35)	—
SCHEMBL12254891	0.84	HRH3 (0.35)	—
SCHEMBL12254905	0.84	HRH3 (0.35)	—
SCHEMBL12266437	0.73	HRH3 (0.34)	—
SCHEMBL12266441	0.71	HRH3 (0.35)	—
SCHEMBL12254883	0.67	ACHE (0.37)	—
SCHEMBL16313389	0.66	HRH3 (0.34)	—
SCHEMBL12254899	0.64	HRH3 (0.33)	—
SCHEMBL12254919	0.64	HRH3 (0.33)	—
SCHEMBL12254885	0.63	ACHE (0.36)	—

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
WO-2007097921-A1	COMPOSITION CONTAINING AZIRIDINO GROUPS AND USE THEREOF	3M INNOVATIVE PROPERTIES COMPANY (US)	2007-08-30	—	—	WO	disclosed