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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4372878 | 0.89 | — | — | |
| Water SCHEMBL10423765 | 0.89 | — | — | |
| SCHEMBL31667874 | 0.87 | — | — | |
| SCHEMBL5147637 | 0.75 | — | — | |
| Bromide SCHEMBL337779 | 0.75 | — | — | |
| SCHEMBL7560147 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL191166 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL2369365 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL719923 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL10937409 | 0.75 | — | — |
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 271 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115007135-B | Tungsten trioxide/zirconium dioxide composite oxide solid acid catalyst with mesoporous structure, preparation and application thereof | 浙江工业大学 | 2024-07-19 | — | — | CN | claimed |
| CN-114665109-B | Electrode material of solid oxide fuel cell or electrolytic cell, and preparation method and application thereof | 清华大学 | 2023-04-07 | — | — | CN | claimed |
| CN-111100732-B | Soap urethane lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2022-10-21 | — | — | CN | claimed |
| CN-111100724-B | Perfluoropolyether lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2022-07-15 | — | — | CN | claimed |
| CN-114735742-A | Doped nano oxide material and preparation method and application thereof | 清华大学 | 2022-07-12 | — | — | CN | claimed |
| EP-4019243-A1 | GAS BARRIER FILM, AND PAINT COMPOSITION FOR FORMING GAS BARRIER LAYER | Toyo Seikan Group Holdings, Ltd. (JP) | 2022-06-29 | — | — | EP | claimed |
| CN-114665109-A | Electrode material of solid oxide fuel cell or electrolytic cell, and preparation method and application thereof | 清华大学 | 2022-06-24 | — | — | CN | claimed |
| CN-114207001-A | Gas barrier film and coating composition for forming gas barrier layer | 东洋制罐集团控股株式会社 | 2022-03-18 | — | — | CN | claimed |
| US-10807066-B2 | Adsorbent and deodorant processed product comprising zirconyl hydroxide | TOAGOSEI CO., LTD. (JP) | 2020-10-20 | — | — | US | claimed |
| CN-111100724-A | Perfluoropolyether lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2020-05-05 | — | — | CN | claimed |
| EP-0439115-B1 | Process for producing aliphatic or alicyclic aldehydes | MITSUBISHI CHEM CORP (JP) | 1995-10-18 | — | — | EP | claimed |
| CN-1107490-A | Pigmentary material | COOKSON MATTHEY CERAMICS PLC (GB) | 1995-08-30 | — | — | CN | claimed |
| EP-0651030-A1 | Pigmentary material | COOKSON MATTHEY CERAMICS & MATERIALS LIMITED (GB) | 1995-05-03 | — | — | EP | claimed |
| US-5239108-A | Hydrogenating an carboxylic acids with hydrogen in presence of zirconium oxide and chromium oxide catalysts | MITSUBISHI KASEI CORPORATION (JP) | 1993-08-24 | — | — | US | claimed |
| EP-0439115-A2 | Process for producing aliphatic or alicyclic aldehydes | Mitsubishi Chemical Corporation (JP) | 1991-07-31 | — | — | EP | claimed |
| EP-0036786-B2 | ZIRCONIA CERAMICS AND A METHOD OF PRODUCING THE SAME | NGK INSULATORS, LTD. (JP) | 1990-05-09 | — | — | EP | claimed |
| US-4863706-A | TOOLS, BLADES, TOOLS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1989-09-05 | — | — | US | claimed |
| EP-0036786-B1 | ZIRCONIA CERAMICS AND A METHOD OF PRODUCING THE SAME | NGK INSULATORS, LTD. (JP) | 1984-10-24 | — | — | EP | claimed |
| US-4360598-A | MOLDING, FIRING ZIRCONIUM OXIDE AND YTTRIUM COMPOUND | NGK INSULATORS, LTD. (JP) | 1982-11-23 | — | — | US | claimed |
| EP-0036786-A1 | Zirconia ceramics and a method of producing the same | NGK INSULATORS, LTD. (JP) | 1981-09-30 | — | — | EP | claimed |