SCHEMBL13580849

CC(C)(C)C1=CC(=C/N=N/c2cc(CF)cc(-c3cc(C(F)(F)F)cc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c3C(F)(F)F)c2CF)C=C(C(C)(C)C)C1=O

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
SCHEMBL13580423	0.87	NPC1 (0.32)	—
SCHEMBL13580412	0.71	SMN1; SMN2 (0.36)	—
SCHEMBL13580344	0.68	NPC1 (0.32)	—
SCHEMBL13580327	0.68	NPC1 (0.33)	—
SCHEMBL13580336	0.67	NPC1 (0.31)	—
SCHEMBL13580316	0.67	ATM (0.34)	—
SCHEMBL13580342	0.66	NPC1 (0.30)	—
SCHEMBL15893568	0.66	MAPT (0.37)	—
SCHEMBL13580345	0.65	NPC1 (0.31)	—
SCHEMBL13580340	0.65	NPC1 (0.31)	—

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-20090317733-A1	Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus	FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP)	2009-12-24	—	—	US	disclosed