SCHEMBL9751507

CCS[C@@H]1O[C@H](C(O)C(C)=O)[C@@](O)([C@@H]2O[C@H](C(O)C(C)=O)[C@@](O)(C(C)=O)[C@@](O)(C(C)=O)[C@]2(O)C(C)=O)[C@@](O)(C(C)=O)[C@]1(O)C(C)=O

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
SCHEMBL9094991	0.91	—	—
SCHEMBL9095005	0.91	—	—
SCHEMBL10935598	0.85	—	—
SCHEMBL11103581	0.80	—	—
SCHEMBL10938854	0.80	—	—
SCHEMBL10933666	0.78	—	—
SCHEMBL10933713	0.78	—	—
SCHEMBL11116407	0.78	—	—
SCHEMBL1582684	0.77	—	—
SCHEMBL10936387	0.77	—	—

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
EP-0428605-A1	SYNTHETIC RECEPTOR ANALOGUES.	SYMBICOM AB (SE)	1991-05-29	—	—	EP	disclosed
WO-1990001488-A1	SYNTHETIC RECEPTOR ANALOGUES	SYMBICOM AKTIEBOLAG (SE)	1990-02-22	—	—	WO	disclosed