Water

Water

SCHEMBL869251

C=Cc1cccc[n+]1CCCS(=O)(=O)O.[OH-]

nearest known ligand 0.41

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 15)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.41
ACHE P22303 3/20 0.37
KDM4A O75164 2/20 0.33
KDM2A Q9Y2K7 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 2/20 0.30
PABPC1 P11940 1/20 0.30
EIF4H Q15056 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30

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
Water SCHEMBL29558803 1.00 HDAC8 (0.41) HDAC8ACHEKDM4AKDM2AKDM4E
SCHEMBL29461432 0.98 HDAC8 (0.42) HDAC8ACHEKDM4AKDM2AKDM4E
SCHEMBL150282 0.98 HDAC8 (0.42) HDAC8ACHEKDM4AKDM2AKDM4E
Water SCHEMBL8976458 0.96 HDAC8 (0.40) HDAC8ACHEKDM4AKDM2ANPC1
SCHEMBL1560289 0.94 HDAC8 (0.41) HDAC8ACHEKDM4AKDM2ANPC1
SCHEMBL7057933 0.89 HDAC8 (0.44) HDAC8ACHEKDM4EALDH1A1POLB
SCHEMBL12223395 0.88 HDAC8 (0.41) HDAC8ACHEKDM4AKDM2AKDM4E
Betaine SCHEMBL133669 0.85 HDAC8 (0.35) HDAC8ACHEALDH1A1
SCHEMBL17123054 0.84 HDAC8 (0.46) HDAC8ACHEKDM4AKDM2AKDM4E
SCHEMBL29356904 0.84 ALDH1A1 (0.48) HDAC8ACHEKDM4AKDM2AKDM4E

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 101 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226823-A1 Drying substances, preparation and use thereof ORIDION MEDICAL (1987) LTD. (IL) 2010-09-09 US claimed
EP-2226192-A1 Drying substances, preparation and use thereof Oridion Medical 1987 Ltd. (IL) 2010-09-08 EP claimed
US-7604746-B2 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2009-10-20 US claimed
EP-1747059-A1 PERVAPORATION COMPOSITE MEMBRANES McMaster University (CA) 2007-01-31 EP claimed
US-20060000778-A1 high-performance membrane designed for the selective removal of a polar fluid (water) from less polar fluids (organic solvents), by a pervaporation using a composite membrane contaiing ultrafiltration membrane as support ( e.g. cellulose acetate) and a crosslinked copolymer of anionic, cationic monomers MCMASTER UNIVERSITY (CA) 2006-01-05 US claimed
WO-2005102503-A1 PERVAPORATION COMPOSITE MEMBRANES MCMASTER UNIVERSITY (CA) 2005-11-03 WO claimed
US-20030161804-A1 Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof L'OREAL (FR) 2003-08-28 US claimed
EP-0869766-B1 COMPOSITIONS FOR THE TREATMENT OF KERATINIC MATERIALS CONTAINING THE ASSOCIATION OF A POLYAMPHOLYTE POLYMER AND A CATIONIC POLYMER OREAL (FR) 2001-11-21 EP claimed
EP-0889940-B1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING & MFG (US) 2000-05-03 EP claimed
CN-1215423-A Electroprayable release coating MINNESOTA MINING & MFG (US) 1999-04-28 CN claimed
EP-0889940-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-13 EP claimed
US-5858545-A COMPRISING AN UNSATURATED MONOMER, A POLYSILOXANE HAVING UNSATURATED END GROUPS AND ONE OR MORE NONVOLATILE CONDUCTIVITY ENHANCER SOLUBLE IN THE MONOMER AND NOT INTERFERING WITH THE COPOLYMERIZATION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-01-12 US claimed
WO-1997035941-A1 ELECTROSPRAYABLE RELEASE COATING MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-10-02 WO claimed
US-20260147278-A1 ORGANIC UNDERLAYER AND METHODS FOR EUV DOSE REDUCTION BREWER SCIENCE, INC. (US) 2026-05-28 US disclosed
US-20250099918-A1 COATED POROUS FILTER MEMBRANES AND RELATED METHODS ENTEGRIS INC (US) 2025-03-27 US disclosed
WO-2025064865-A1 COATED POROUS FILTER MEMBRANES AND RELATED METHODS ENTEGRIS, INC. (US) 2025-03-27 WO disclosed
EP-0532687-B1 SEMIPERMEABLE COMPOSITE MEMBRANE TNO (NL) 1996-04-17 EP disclosed
US-5348652-A Ampholytic polymer NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1994-09-20 US disclosed
EP-0532687-A1 SEMIPERMEABLE COMPOSITE MEMBRANE. TNO (NL) 1993-03-24 EP disclosed
WO-1991018666-A1 SEMIPERMEABLE COMPOSITE MEMBRANE NEDERLANDSE ORGANISATIE VOOR TOEGEPAST-NATUURWETENSCHAPPELIJK ONDERZOEK TNO (NL) 1991-12-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260147278-A1 ORGANIC UNDERLAYER AND METHODS FOR EUV DOSE REDUCTION PARG, KCNK9, PRDM9 HDAC8 4271/4885ACHE 1501/4885KDM4A 25/4885
US-20030161804-A1 Self-adhesive cationic or amphoteric free-radical polymers and cosmetic use thereof PARN, PCNA, F13A1 HDAC8 2014/4885ACHE 690/4885KDM4A 2004/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.