SCHEMBL2889199

CC1=C(C)C(C)(C)C([Co]C2=C(C)C(C)=C(C)C2(C)C)=C1C.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F

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
Water SCHEMBL7521442	0.80	CTSD (0.32)	—
SCHEMBL25285201	0.79	—	—
SCHEMBL25284910	0.73	—	—
SCHEMBL634685	0.57	CA2 (0.46)	—
SCHEMBL88352	0.57	—	—
SCHEMBL31402615	0.57	CA2 (0.46)	—
SCHEMBL2486859	0.57	CA2 (0.46)	—
SCHEMBL28713245	0.54	—	—
SCHEMBL18603886	0.54	—	—
Fluoride SCHEMBL1131128	0.53	CTSD (0.33)	—

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 5 patents. claimed = in the patent's claims; disclosed = body only.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
US-8658850-B2	Method of detoxifying a harmful compound	NIPPON SHEET GLASS COMPANY, LIMITED (JP)	2014-02-25	—	—	US	claimed
US-20090326313-A1	Composition for the Alkylation and a Method For Detoxifying a Harmful Compound by Using The Composition	NIPPON SHEET GLASS COMPANY, LIMITED (JP)	2009-12-31	—	—	US	claimed
US-8847000-B2	Composition for alkylation and method for detoxifying a harmful compound by using the composition	NIPPON SHEET GLASS COMPANY, LIMITED (JP)	2014-09-30	—	—	US	disclosed
US-20100286424-A1	METHOD OF DETOXIFYING A HARMFUL COMPOUND	NIPPON SHEET GLASS COMPANY, LIMITED (JP)	2010-11-11	—	—	US	disclosed
US-20090326313-A1	Composition for the Alkylation and a Method For Detoxifying a Harmful Compound by Using The Composition	NIPPON SHEET GLASS COMPANY, LIMITED (JP)	2009-12-31	—	—	US	disclosed