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.
⚠ 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 SCHEMBL28311340 | 0.87 | — | — | |
| Water SCHEMBL16715311 | 0.87 | — | — | |
| Water SCHEMBL28158318 | 0.82 | — | — | |
| Water SCHEMBL26331 | 0.82 | — | — | |
| Water SCHEMBL73275 | 0.82 | — | — | |
| Water SCHEMBL27576924 | 0.82 | — | — | |
| Water SCHEMBL9388396 | 0.82 | — | — | |
| Water SCHEMBL28910264 | 0.78 | — | — | |
| Water SCHEMBL23069276 | 0.67 | — | — | |
| Water SCHEMBL8085855 | 0.67 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114769607-B | Chemical method for preparing nanoscale ZrCo alloy and preparation method thereof | 北京航空航天大学 | 2023-04-07 | — | — | CN | claimed |
| CN-114769607-A | Chemical method for preparing nanoscale ZrCo alloy and preparation method thereof | 北京航空航天大学 | 2022-07-22 | — | — | CN | claimed |
| US-9907988-B1 | Porous metal hydroxides for decontaminating toxic agents | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2018-03-06 | — | — | US | claimed |
| CN-114769607-B | Chemical method for preparing nanoscale ZrCo alloy and preparation method thereof | 北京航空航天大学 | 2023-04-07 | — | — | CN | disclosed |
| US-11402322-B1 | Self-indicating colorimetric response materials for removal and sensing of toxic chemicals and narcotics | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2022-08-02 | — | — | US | disclosed |
| CN-114769607-A | Chemical method for preparing nanoscale ZrCo alloy and preparation method thereof | 北京航空航天大学 | 2022-07-22 | — | — | CN | disclosed |
| US-11385169-B1 | Self-indicating colorimetric response materials for removal and sensing of toxic chemicals and narcotics | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2022-07-12 | — | — | US | disclosed |
| US-10732098-B1 | Self-indicating colorimetric response materials for removal and sensing of toxic chemicals and narcotics | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2020-08-04 | — | — | US | disclosed |
| US-10261022-B1 | Self-indicating zirconium hydroxide and other porous metal hydroxides incorporating additional metals, metal oxides, and/or metal salts for toxic chemical removal and sensing | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2019-04-16 | — | — | US | disclosed |
| US-9958397-B1 | Self-indicating porous metal hydroxides incorporating metal reactants for toxic chemical removal and sensing | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2018-05-01 | — | — | US | disclosed |
| US-9907988-B1 | Porous metal hydroxides for decontaminating toxic agents | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2018-03-06 | — | — | US | disclosed |
| US-8101300-B2 | Lithium-containing composite oxide of lithium cobaltate, lithium nickel cobalt oxide and lithium nickel cobalt manganese oxide; high operating voltage, high volume capacity density, high safety and excellent cyclic charge and discharge properties, without reduction in the volume capacity density, safety | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2012-01-24 | — | — | US | disclosed |
| CN-101331631-B | Positive electrode active material for nonaqueous electrolyte secondary battery and method for producing same | AGC SEIMI CHEMICAL CO LTD | 2010-09-29 | — | — | CN | disclosed |
| CN-101331631-A | Positive electrode active material for nonaqueous electrolyte secondary battery and method for producing same | AGC SEIMI CHEMICAL CO LTD (JP) | 2008-12-24 | — | — | CN | disclosed |
| US-20080160414-A1 | CATHODE ACTIVE MATERIAL FOR NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY AND ITS PRODUCTION METHOD | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2008-07-03 | — | — | US | disclosed |