SCHEMBL7789702

CCC(C)(C#N)N=NC(C)(C#N)CC.CCCC(C)(C#N)N=NC(C)(C#N)CC.CCCC(C)(C#N)N=NC(C)(C#N)CCC.CCCCCC(C)(C#N)N=NC(C)(C#N)CC.CCCCCC(C)(C#N)N=NC(C)(C#N)CCC.CCCCCC(C)(C#N)N=NC(C)(C#N)CCCCC

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
SCHEMBL7786673	0.98	—	—
SCHEMBL7099018	0.96	TSHR (0.30)	—
SCHEMBL7120198	0.96	TSHR (0.30)	—
SCHEMBL7789666	0.96	TSHR (0.30)	—
SCHEMBL7789670	0.96	TSHR (0.30)	—
SCHEMBL7787421	0.94	SMPD1 (0.31)	—
SCHEMBL7789682	0.94	SMPD1 (0.31)	—
SCHEMBL7095118	0.94	SMPD1 (0.31)	—
SCHEMBL7789678	0.94	SMPD1 (0.31)	—
SCHEMBL7095117	0.94	SMPD1 (0.31)	—

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-0847383-B1	MULTI-COMPONENT LIQUID AZODINITRILE MIXTURES	DU PONT (US)	2001-11-07	—	—	EP	claimed