SCHEMBL16166378

CC(C)(C)[S+]([O-])N(CC(C)(C)[S+]([O-])N[C@@](C)(CC=O)c1nc(Br)ccc1Cl)[C@@](C)(C[C@H](O[Si](C)(C)C)C(F)(F)F)c1nc(Br)ccc1Cl

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
SCHEMBL16166376	0.87	BACE1 (0.31)	—
SCHEMBL17511226	0.80	BACE1 (0.32)	—
SCHEMBL16166021	0.80	BACE1 (0.32)	—
SCHEMBL16166022	0.80	BACE1 (0.32)	—
SCHEMBL17511227	0.80	BACE1 (0.32)	—
SCHEMBL16166148	0.75	BACE1 (0.32)	—
SCHEMBL16166146	0.75	BACE1 (0.32)	—
SCHEMBL16166150	0.75	BACE1 (0.32)	—
SCHEMBL30088443	0.75	BACE1 (0.32)	—
SCHEMBL16166100	0.70	BACE1 (0.34)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-2984086-A1	BACE1 INHIBITORS	F. Hoffmann-La Roche AG (CH)	2016-02-17	—	—	EP	disclosed
WO-2014166906-A1	BACE1 INHIBITORS	F. HOFFMANN-LA ROCHE AG (CH)	2014-10-16	—	—	WO	disclosed