SCHEMBL3624825

CC1(C)CC(C(CC(=O)O)(C(=O)O)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C(C(=O)O)(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

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
SCHEMBL76202	0.87	GAA (0.30)	—
SCHEMBL8226136	0.83	GAA (0.35)	—
SCHEMBL431527	0.83	GAA (0.38)	—
SCHEMBL35143	0.83	GAA (0.38)	—
SCHEMBL434149	0.83	GAA (0.38)	—
Sebacic Acid SCHEMBL28872453	0.83	GAA (0.38)	—
SCHEMBL9577728	0.83	GAA (0.38)	—
Ammonia Solution, Strong SCHEMBL407292	0.82	GAA (0.37)	—
Ammonia Solution, Strong SCHEMBL17080412	0.82	GAA (0.37)	—
SCHEMBL9577600	0.82	GAA (0.38)	—

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
EP-2218818-A1	FABRIC FOR AIR BAG	Toyo Boseki Kabushiki Kaisha (JP)	2010-08-18	—	—	EP	disclosed