SCHEMBL8617682

CCCC[C@@H](C)C[C@@H](/C=C/[C@@H]1C(SCCC/C=C(\C)C(=O)O)=C(OC(=O)CCC)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

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
SCHEMBL6653490	0.89	PTGIR (0.40)	—
SCHEMBL6653494	0.89	PTGIR (0.40)	—
SCHEMBL8624868	0.87	—	—
SCHEMBL6654047	0.87	PTGIR (0.35)	—
SCHEMBL6654052	0.87	PTGIR (0.35)	—
SCHEMBL8624401	0.87	PTGIR (0.33)	—
SCHEMBL8621441	0.86	PTGIR (0.33)	—
SCHEMBL8617660	0.85	—	—
SCHEMBL6656530	0.84	PTGIR (0.40)	—
SCHEMBL6656528	0.84	PTGIR (0.40)	—

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-5731452-A	7-thiaprostaglandins and method of production thereof	TEIJIN LIMITED (JP)	1998-03-24	—	—	US	disclosed