SCHEMBL22139384

CC(C)(C)c1cc(CC2=C(O)C(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3)=C(O)/C(=C3/C(=O)C(c4c(O)c(Cc5cc(C(C)(C)C)cc(C(C)(C)C)c5)c(O)c(Cc5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4O)=C3O)C2=O)cc(C(C)(C)C)c1

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
SCHEMBL22139357	0.94	GABRA1 (0.30)	—
SCHEMBL22139353	0.71	MAPK1 (0.48)	—
SCHEMBL22139359	0.68	MEN1 (0.42)	—
SCHEMBL20582344	0.67	GABRA1 (0.45)	—
SCHEMBL22139373	0.64	MAPK1 (0.43)	—
SCHEMBL22139397	0.64	XIAP (0.41)	—
SCHEMBL28433211	0.63	GABRA1 (0.48)	—
SCHEMBL22139367	0.61	ALOX5 (0.33)	—
SCHEMBL20472890	0.61	GABRA1 (0.50)	—
SCHEMBL7028595	0.60	HTR1D (0.42)	—

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-20200199058-A1	SQUARYLIUM COMPOUNDS FOR USE IN DISPLAY DEVICES	NITTO DENKO CORPORATION (JP)	2020-06-25	—	—	US	disclosed