Water

SCHEMBL2403124

O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].O=[Si]([O-])[O-].[Al+3].[Al+3].[Al+3].[Ca+2].[Ca+2].[Ca+2].[Fe+3].[Fe+3].[Fe+3].[Mg+2].[Mg+2].[Mg+2].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-]

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABBR1 GABBR2 GABRA1 GABRA2 GABRA3 GABRA4 GABRA5 GABRA6 GABRB1 GABRB2 GABRB3 GABRD GABRE GABRG1 GABRG2 GABRG3 GABRP GABRQ GRIN1 GRIN2A GRIN2B GRIN2C GRIN2D GRIN3A GRIN3B HMGCR MMP1 MMP13 MMP7 MMP8 PTGS1 PTGS2 ileS pol rplA rplB rplC rplD rplE rplF rplJ rplK rplL rplM rplN rplO rplP rplQ rplR rplS rplT rplU rplV rplW rplX rplY rpmA rpmB rpmC rpmD rpmE rpmF rpmG rpmH rpmI rpmJ rpsA rpsB rpsC rpsD rpsE rpsF rpsG rpsH rpsI rpsJ rpsK rpsL rpsM rpsN rpsO rpsP rpsQ rpsR rpsS rpsT rpsU ykgM ykgO

The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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 SCHEMBL5326732	0.96	—	—
Water SCHEMBL666331	0.95	—	—
Water SCHEMBL916079	0.95	—	—
Water SCHEMBL914667	0.95	—	—
Water SCHEMBL914229	0.95	—	—
Fluoride Ion SCHEMBL7034557	0.92	—	—
Fluoride Ion SCHEMBL14875172	0.91	—	—
Potassium Ion SCHEMBL664053	0.91	—	—
Water SCHEMBL5132656	0.91	—	—
Water SCHEMBL14875479	0.91	—	—

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-8551904-B2	High surface area ceramic catalysts and the manufacture thereof	NALCO COMPANY (US)	2013-10-08	—	—	US	disclosed
US-20110212829-A1	HIGH SURFACE AREA CERAMIC CATALYSTS AND THE MANUFACTURE THEREOF	NALCO COMPANY	2011-09-01	—	—	US	disclosed
US-20070037697-A1	High surface area ceramic catalysts and the manufacture thereof	ECOLAB USA INC.	2007-02-15	—	—	US	disclosed
US-20030173287-A1	Filter devices and methods of use	JOHNSTON ARTHUR W (US)	2003-09-18	—	—	US	disclosed
WO-2001087777-A2	FILTER DEVICES AND METHODS OF USE	WATERVISIONS INTERNATIONAL, INC. (US)	2001-11-22	—	—	WO	disclosed