Water

Water

SCHEMBL3302085

CC[N+](C)(C)CCCO.[OH-]

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ

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.

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.52
HTT P42858 2/20 0.52
KMT2A Q03164 1/20 0.52
HSP90AA1 P07900 1/20 0.50
RAD52 P43351 1/20 0.50
BBOX1 O75936 3/20 0.48
ALDH1A1 P00352 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL13852614 0.97
Hydrochloric Acid SCHEMBL5715241 0.94 DNM1 (0.52) DNM1HTTKMT2AHSP90AA1RAD52
Water SCHEMBL3307439 0.92 DNM1 (0.56) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL16594115 0.89 DNM1 (0.59) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL30961252 0.86 DNM1 (0.64) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL30961249 0.86 DNM1 (0.64) DNM1HTTKMT2AHSP90AA1RAD52
SCHEMBL30961256 0.86 DNM1 (0.64) DNM1HTTKMT2AHSP90AA1RAD52
Hydrochloric Acid SCHEMBL16594142 0.86 DNM1 (0.56) DNM1HTTKMT2AHSP90AA1RAD52
Water SCHEMBL2779681 0.85 DNM1 (0.52) DNM1HTTKMT2ABBOX1ALDH1A1
Hydrochloric Acid SCHEMBL16594167 0.84 DNM1 (0.61) DNM1HTTKMT2AHSP90AA1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10304694-B2 Semiconductor treatment composition and treatment method JSR CORPORATION (JP) 2019-05-28 US disclosed
US-20190122896-A1 SEMICONDUCTOR TREATMENT COMPOSITION JSR CORPORATION (JP) 2019-04-25 US disclosed
US-20180226267-A1 SEMICONDUCTOR TREATMENT COMPOSITION AND TREATMENT METHOD JSR CORPORATION (JP) 2018-08-09 US disclosed
US-8349207-B2 Aqueous dispersion for chemical mechanical polishing and chemical mechanical polishing method for semiconductor device JSR CORPORATION (JP) 2013-01-08 US disclosed
US-20100099260-A1 AQUEOUS DISPERSION FOR CHEMICAL MECHANICAL POLISHNG AND CHEMICAL MECHANICAL POLISHING METHOD FOR SEMICONDUCTOR DEVICE JSR CORPORATION (JP) 2010-04-22 US disclosed
EP-2131389-A1 AQUEOUS DISPERSION FOR CHEMICAL MECHANICAL POLISHING AND CHEMICAL MECHANICAL POLISHING METHOD FOR SEMICONDUCTOR DEVICE JSR Corporation (JP) 2009-12-09 EP disclosed
US-20040077512-A1 Cleaning agent for a semi-conductor substrate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-22 US disclosed
US-6716803-B2 HAVING COPPER WIRINGS ON ITS SURFACE, COMPRISING A NONIONIC SURFACTANT, ESPECIALLY A POLYOXYALKYLENE COMPOUNDS CONTAINING AN ACETYLENIC GROUP. WAKO PURE CHEMCIAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-6534458-B1 This invention relates to a cleaning agent for a semi-conductor substrate, particularly, one having copper wirings on its surface, comprising a nonionic surfactant and a method for cleaning the same. control a speed of etching on WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-18 US disclosed
US-20020016272-A1 Cleaning agent for a semi-conductor substrate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-07 US disclosed
US-6310019-B1 COMPRISING NONIONIC SURFACTANT; FOR CLEANING SURFACE HAVING COPPER WIRINGS; CORROSION RESISTANCE WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-30 US disclosed