SCHEMBL5498910

CC[C@H](C)CC1(C[C@@H](C)CC)c2cc(-c3ccc4c(c3)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c3cc([Si](C)(C)C)ccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c3cc([Si](C)(C)C)ccc3-4)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
SCHEMBL5662776	0.85	—	—
SCHEMBL5498599	0.81	PDK2 (0.32)	—
SCHEMBL5663449	0.81	—	—
SCHEMBL5502525	0.80	—	—
SCHEMBL6928097	0.77	—	—
SCHEMBL5499520	0.74	LIPG (0.35)	—
SCHEMBL5501884	0.74	PDK2 (0.32)	—
SCHEMBL5498380	0.74	PDK2 (0.32)	—
SCHEMBL5284230	0.72	ATM (0.30)	—
SCHEMBL5283014	0.72	ALDH1A1 (0.33)	—

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

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1425168-A4	LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS	UNIV ROCHESTER (US)	2007-01-03	—	—	EP	disclosed
US-7057009-B2	Crosslinking polyfluorene; molecular orientation	UNIVERSITY OF ROCHESTER (US)	2006-06-06	—	—	US	disclosed
EP-1425168-A2	LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS	University of Rochester (US)	2004-06-09	—	—	EP	disclosed
US-20030039838-A1	Light-emitting organic oligomer compositions	UNIVERSITY OF ROCHESTER	2003-02-27	—	—	US	disclosed
WO-2003008475-A2	LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS	UNIVERSITY OF ROCHESTER (US)	2003-01-30	—	—	WO	disclosed