SCHEMBL13580404

CC(C)(C)C1=CC(=C/N=N/c2ccc(-c3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(-c4ccc(O)cc4)c3)c(-c3ccc(O)cc3)c2)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
SCHEMBL13580827	0.91	NPC1 (0.33)	—
SCHEMBL13580406	0.82	PTGS2 (0.31)	—
SCHEMBL13580394	0.82	PTGS2 (0.35)	—
SCHEMBL13580397	0.81	CASP3 (0.35)	—
SCHEMBL13580353	0.81	NPC1 (0.33)	—
SCHEMBL13580828	0.81	NPC1 (0.33)	—
SCHEMBL13580358	0.80	NPC1 (0.33)	—
SCHEMBL13580357	0.80	SMN1; SMN2 (0.36)	—
SCHEMBL13580348	0.80	NPC1 (0.34)	—
SCHEMBL13580330	0.79	NPC1 (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 2 patents. 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
US-20090317733-A1	Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus	FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP)	2009-12-24	—	—	US	disclosed