SCHEMBL8927050

CCC1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CCC4(CNC(=O)NC(C)C)C4=CC(=O)C(C)N5CC[C@@H]6[C@@H](CC[C@]7(C)C(CNC(=O)NC(C)C)CC[C@@H]67)[C@@]45C)[C@@H]3CCN12

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
SCHEMBL8724887	0.83	G6PD (0.32)	—
SCHEMBL8722387	0.83	SRD5A1 (0.33)	—
SCHEMBL8063891	0.79	SRD5A2 (0.36)	—
SCHEMBL9239824	0.70	G6PD (0.37)	—
SCHEMBL8071938	0.68	SRD5A2 (0.37)	—
SCHEMBL8071949	0.67	G6PD (0.41)	—
SCHEMBL9113667	0.67	SRD5A1 (0.42)	—
SCHEMBL9572349	0.65	SMN1; SMN2 (0.36)	—
SCHEMBL8072501	0.64	SRD5A2 (0.61)	—
SCHEMBL9113835	0.64	SRD5A2 (0.61)	—

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-5693809-A	PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER	MERCK & CO., INC. (US)	1997-12-02	—	—	US	disclosed