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 SCHEMBL617672 | 1.00 | — | — | |
| Fluoride Ion SCHEMBL7110697 | 0.82 | — | — | |
| Water SCHEMBL2980748 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL206474 | 0.82 | — | — | |
| Water SCHEMBL904765 | 0.71 | — | — | |
| Hydrogen Sulfide SCHEMBL1434311 | 0.71 | — | — | |
| Water SCHEMBL27876469 | 0.71 | — | — | |
| SCHEMBL798394 | 0.71 | — | — | |
| SCHEMBL8840579 | 0.71 | — | — | |
| Water SCHEMBL23501481 | 0.50 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114796966-B | Electric cooling, arc extinguishing and fire extinguishing reagent and preparation method thereof | 重庆华航重科电气设备有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-114796966-A | Electric cooling, arc extinguishing and fire extinguishing reagent and preparation method thereof | 重庆华航重科电气设备有限公司 | 2022-07-29 | — | — | CN | disclosed |
| EP-2825598-B1 | FIRE-RETARDANT TPU ON THE BASIS OF ENCASED METAL HYDROXIDES | BASF SE (DE) | 2021-09-08 | — | — | EP | disclosed |
| EP-1675123-B1 | Cartridge for photosensitive recording medium | FUJIFILM CORP (JP) | 2009-08-26 | — | — | EP | disclosed |
| EP-1874533-A1 | FIRE RETARDANT LAMINATE | Owens-Corning Intellectual Capital, LLC (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006111458-A1 | FIRE RETARDANT LAMINATE | OWENS-CORNING INTELLECTUAL CAPITAL, LLC (US) | 2006-10-26 | — | — | WO | disclosed |
| US-20060234026-A1 | Non-combustible high pressure laminate | OWENS CORNING INTELLECTUAL CAPITAL, LLC | 2006-10-19 | — | — | US | disclosed |
| EP-1675123-A2 | Cartridge for photosensitive recording medium | Fuji Photo Film Co., Ltd. (JP) | 2006-06-28 | — | — | EP | disclosed |
| EP-0950668-B1 | SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION | TOHO TITANIUM CO LTD (JP) | 2004-05-12 | — | — | EP | disclosed |
| EP-0731136-B1 | Low-temperature-resistant halogen-free, flame-retardant polyolefin-based resin composition | KYOWA CHEM IND CO LTD (JP) | 2002-06-05 | — | — | EP | disclosed |
| US-6228791-B1 | CATALYST PREPARED BY CONTACTING MAGNESIUM COMPOUND, TETRAVALENT HALOGEN-CONTAINING TITANIUM COMPOUND, DIESTER OF AROMATIC DICARBOXYLIC ACID, AROMATIC HYDROCARBON AND ORGANIC ALUMINUM COMPOUND CONTAINING HYDROXYL GROUP | TOHO TITANIUM CO., LTD. (JP) | 2001-05-08 | — | — | US | disclosed |
| EP-0950668-A1 | SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION | TOHO TITANIUM CO., LTD. (JP) | 1999-10-20 | — | — | EP | disclosed |
| EP-0731136-A2 | Low-temperature-resistant halogen-free, flame-retardant polyolefin-based resin composition | KYOWA CHEMICAL INDUSTRY CO., LTD. (JP) | 1996-09-11 | — | — | EP | disclosed |
| EP-0582044-A1 | Container for photographic film, its production and photographic film package | FUJI PHOTO FILM CO., LTD. (JP) | 1994-02-09 | — | — | EP | disclosed |
| US-5141610-A | Electrodialytic process for restoring sodium hydroxide etchants for aluminum | VAUGHAN DANIEL J (US) | 1992-08-25 | — | — | US | disclosed |
| US-4529602-A | Sulfodehydroabietic acid compound | TANABE SEIYAKU CO., LTD. (JP) | 1985-07-16 | — | — | US | disclosed |