Water

Water

SCHEMBL462687

C=C(C)C(=O)OC(C)[N+](C)(C)CCCS(=O)(=O)O.[OH-]

nearest known ligand 0.33

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 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33

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
SCHEMBL4048487 0.99 TSHR (0.34) TSHR
SCHEMBL23794910 0.94 TSHR (0.33) TSHR
Betaine SCHEMBL821050 0.90 TSHR (0.34) TSHR
SCHEMBL23794907 0.90 TSHR (0.36) TSHR
Water SCHEMBL7896363 0.83 THRB (0.37) TSHR
SCHEMBL13749923 0.80 TSHR (0.42) TSHR
Water SCHEMBL15530721 0.80 TSHR (0.33) TSHR
Water SCHEMBL28053922 0.80 TSHR (0.31) TSHR
Hydrochloric Acid SCHEMBL28570820 0.79 TSHR (0.45) TSHR
Bromide SCHEMBL28356825 0.79 TSHR (0.41) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113293508-A Composite fiber membrane and preparation method and application thereof 内蒙古工业大学 2021-08-24 CN claimed
US-20150109573-A1 SURFACE COATINGS FOR BIOLOGICAL IMPLANTS AND PROSTHESES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-23 US claimed
WO-2013166358-A1 SURFACE COATINGS FOR BIOLOGICAL IMPLANTS AND PROSTHESES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-11-07 WO claimed
WO-2023044463-A1 SILK FIBROIN DERIVED BRUSH-LIKE POLYMERS UNIVERSITY OF CONNECTICUT (US) 2023-03-23 WO disclosed
US-20230062833-A1 DRYER, DRYING METHOD, AND DEHUMIDIFICATION FILTER PANASONIC INTELLECTUAL PROPERTY MANAGEMENT CO., LTD. (JP) 2023-03-02 US disclosed
CN-113293508-A Composite fiber membrane and preparation method and application thereof 内蒙古工业大学 2021-08-24 CN disclosed
CN-113293508-A Composite fiber membrane and preparation method and application thereof 内蒙古工业大学 2021-08-24 CN disclosed
US-9550011-B2 Surface coatings for biological implants and prostheses INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-01-24 US disclosed
US-20150109573-A1 SURFACE COATINGS FOR BIOLOGICAL IMPLANTS AND PROSTHESES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION 2015-04-23 US disclosed
WO-2013166358-A1 SURFACE COATINGS FOR BIOLOGICAL IMPLANTS AND PROSTHESES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-11-07 WO disclosed
EP-2440977-A1 NEGATIVE-WORKING IMAGEABLE ELEMENTS Eastman Kodak Company (US) 2012-04-18 EP disclosed
WO-2010144119-A1 NEGATIVE-WORKING IMAGEABLE ELEMENTS EASTMAN KODAK COMPANY (US) 2010-12-16 WO disclosed
US-7074867-B2 From a sulfonate compound containing unsaturated ester group; membrane AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2006-07-11 US disclosed
US-20040171781-A1 Ion conducting polymers AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2004-09-02 US disclosed
US-20030045664-A1 High ion conductive polymers, methods of producing, membrane formed therefrom and related compounds INSTITUTE OF MATERIALS RESEARCH AND ENGINEERING (SG) 2003-03-06 US 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 (1 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-20040171781-A1 Ion conducting polymers CACNA1E, VDAC1, HVCN1 TSHR 3664/4885

“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.