SCHEMBL6928097

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)c3ccccc3-4)ccc2-c2ccc(-c3ccc4c(c3)C(CC[C@@H](C)CCCC(C)C)(CC[C@@H](C)CCCC(C)C)c3c-4ccc(I)c3I)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	0.82	—	—
SCHEMBL5498910	0.77	—	—
SCHEMBL4363141	0.75	APEX1 (0.35)	—
SCHEMBL5502747	0.74	PDK2 (0.31)	—
SCHEMBL5998328	0.71	PDK2 (0.39)	—
SCHEMBL5502638	0.70	PDK2 (0.40)	—
SCHEMBL5496894	0.70	PDK2 (0.40)	—
SCHEMBL5502237	0.70	PDK2 (0.40)	—
SCHEMBL5499014	0.70	PDK2 (0.40)	—
SCHEMBL28110674	0.69	APEX1 (0.34)	—

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-20030039838-A1	Light-emitting organic oligomer compositions	UNIVERSITY OF ROCHESTER	2003-02-27	—	—	US	disclosed