SCHEMBL18922257

C=C1CC[C@H]2C(CN3CCCC3C(=O)OC)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@@]1(O)[C@]2(O)CC[C@]12C(=O)C[C@H]1C(=C)CC[C@H]3C(NC4CCCC4C(=O)OC)C(=O)O[C@@H]3[C@H]12

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
SCHEMBL18501602	0.91	MEN1 (0.34)	—
SCHEMBL18506489	0.78	MEN1 (0.33)	—
SCHEMBL18923677	0.78	MEN1 (0.33)	—
SCHEMBL18501583	0.75	KMT2A (0.34)	—
SCHEMBL18501597	0.74	KMT2A (0.34)	—
SCHEMBL18501599	0.73	KMT2A (0.34)	—
SCHEMBL18506556	0.72	MEN1 (0.33)	—
SCHEMBL18506488	0.71	KMT2A (0.31)	—
SCHEMBL18923643	0.67	KMT2A (0.33)	—
SCHEMBL18501596	0.61	KMT2A (0.36)	—

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-9670226-B2	Sesquiterpenoids	NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN)	2017-06-06	—	—	US	disclosed