SCHEMBL26029288

C[C@H](CNC(C)(C)C)Oc1cc(C(C)(C)Cc2cc(O[C@@H](C)CNC(C)(C)CCC(C)(C)c3cc4cc(OCCCNC(C)(C)C)ccc4o3)cc3cc(C(C)(C)C)oc23)ccn1

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
SCHEMBL20443662	0.85	ADRB2 (0.30)	—
SCHEMBL26850929	0.83	HDAC6 (0.30)	—
SCHEMBL22692183	0.83	MAOB (0.34)	—
SCHEMBL20235057	0.77	TAS1R3 (0.32)	—
SCHEMBL22005806	0.77	KDM4E (0.36)	—
SCHEMBL20234211	0.76	KDM4E (0.38)	—
SCHEMBL18612059	0.70	ADRB2 (0.36)	—
SCHEMBL18611950	0.70	ADRB2 (0.36)	—
SCHEMBL18611618	0.70	KDM4E (0.43)	—
SCHEMBL26029332	0.70	LMNA (0.37)	—

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-11707452-B2	Modulators of alpha-synuclein proteolysis and associated methods of use	ARVINAS OPERATIONS, INC. (US)	2023-07-25	—	—	US	disclosed