SCHEMBL20094872

COCCN(CCCNC(=O)[C@H](CCCCNC(=N)N)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)C(O)(CCCCNC(=N)N)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

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
SCHEMBL20094853	0.92	TLR2 (0.31)	—
SCHEMBL16572335	0.90	NPY1R (0.31)	—
SCHEMBL19366157	0.81	NPY4R (0.33)	—
SCHEMBL16572076	0.80	SIRT6 (0.37)	—
SCHEMBL20094992	0.71	DPP7 (0.36)	—
SCHEMBL16572296	0.69	DPP7 (0.46)	—
SCHEMBL16572308	0.69	DPP7 (0.46)	—
SCHEMBL16572352	0.69	DPP7 (0.46)	—
SCHEMBL16572297	0.69	DPP7 (0.46)	—
SCHEMBL16572291	0.69	DPP7 (0.46)	—

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-20180111907-A1	DENDRIMER LIKE AMINO AMIDES POSSESSING SODIUM CHANNEL BLOCKER ACTIVITY FOR THE TREATMENT OF DRY EYE AND OTHER MUCOSAL DISEASES	PARION SCIENCES, INC.	2018-04-26	—	—	US	disclosed