SCHEMBL418150

CC(=O)OC(C)=O.CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCC(C(C)=O)C(=O)[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].CCCC[O-].[Zr+4].[Zr+4].[Zr+4]

nearest known ligand 0.36

Predicted protein targets (top 4)

	gene	UniProt	supporting neighbours	confidence
▸	CA2	P00918	4/20	0.36

▸	CA1	P00915	2/20	0.33

▸	ALDH1A1	P00352	2/20	0.32

▸	TSHR	P16473	1/20	0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1229548	0.92	CA2 (0.41)	CA2CA1TSHR
SCHEMBL1230029	0.92	CA2 (0.41)	CA2CA1TSHR
SCHEMBL449993	0.92	CA2 (0.41)	CA2CA1TSHR
SCHEMBL829930	0.88	CA2 (0.41)	CA2CA1TSHR
SCHEMBL6681534	0.88	CA2 (0.41)	CA2CA1TSHR
SCHEMBL1681963	0.88	CA2 (0.41)	CA2CA1TSHR
SCHEMBL261344	0.88	CA2 (0.41)	CA2CA1TSHR
SCHEMBL1229453	0.88	CA2 (0.41)	CA2CA1TSHR
SCHEMBL4450986	0.79	CA2 (0.41)	CA2
SCHEMBL17550733	0.79	CA2 (0.41)	CA2

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-20120021177-A1	WATER-REPELLENT SUBSTRATE AND PROCESS FOR ITS PRODUCTION	ASAHI GLASS COMPANY, LIMITED (JP)	2012-01-26	—	—	US	disclosed