SCHEMBL5284227

CCC(C)CC1(CC(C)CC)c2cc(CCCc3ccc(C4=CC(c5ccc(CCCc6ccc7c(c6)C(CC(C)CC)(CC(C)CC)c6cc([Si](C)(C)C)ccc6-7)cc5)=NN(c5ccc(CCCc6ccc7c(c6)C(CC(C)CC)(CC(C)CC)c6cc([Si](C)(C)C)ccc6-7)cc5)N4)cc3)ccc2-c2ccc([Si](C)(C)C)cc21

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
SCHEMBL5284230	0.79	ATM (0.30)	—
SCHEMBL5322370	0.77	NPC1 (0.31)	—
SCHEMBL5283014	0.70	ALDH1A1 (0.33)	—
SCHEMBL5418620	0.67	—	—
SCHEMBL5502525	0.67	—	—
SCHEMBL5501884	0.66	PDK2 (0.32)	—
SCHEMBL5498380	0.66	PDK2 (0.32)	—
SCHEMBL5663449	0.65	—	—
SCHEMBL5499520	0.64	LIPG (0.35)	—
SCHEMBL5498910	0.64	—	—

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-20070111027-A1	Light-emitting organic materials	NATIONAL SCIENCE FOUNDATION	2007-05-17	—	—	US	disclosed
WO-2007016454-A2	LIGHT-EMITTING ORGANIC MATERIALS	UNIVERSITY OF ROCHESTER (US)	2007-02-08	—	—	WO	disclosed