SCHEMBL31284

CC(=NO)c1cc(N(COCC[Si](S(C)(=O)=O)(S(C)(=O)=O)S(C)(=O)=O)COCC[Si](S(C)(=O)=O)(S(C)(=O)=O)S(C)(=O)=O)n2nccc2n1

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
SCHEMBL31282	1.00	—	—
SCHEMBL31080	0.88	CRHR1 (0.32)	—
SCHEMBL17787544	0.88	CRHR1 (0.32)	—
SCHEMBL31079	0.88	CRHR1 (0.32)	—
SCHEMBL30183	0.77	CRHR1 (0.33)	—
SCHEMBL7881389	0.77	CRHR1 (0.30)	—
SCHEMBL31283	0.76	CRHR1 (0.31)	—
SCHEMBL30497	0.76	PDE10A (0.32)	—
SCHEMBL10280617	0.75	CRHR1 (0.33)	—
SCHEMBL596485	0.74	LMNA (0.39)	—

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-2608668-A1	FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN	Merck Sharp & Dohme Corp. (US)	2013-07-03	—	—	EP	disclosed
WO-2012027234-A1	FUSED TRICYCLIC INHIBITORS OF MAMMALIAN TARGET OF RAPAMYCIN	SCHERING CORPORATION (US)	2012-03-01	—	—	WO	disclosed