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 SCHEMBL15161730 | 0.87 | — | — | |
| Water SCHEMBL1539 | 0.82 | — | — | |
| Water SCHEMBL11326285 | 0.82 | — | — | |
| Water SCHEMBL8050234 | 0.82 | — | — | |
| Water SCHEMBL973253 | 0.82 | — | — | |
| Water SCHEMBL28370748 | 0.82 | — | — | |
| SCHEMBL5885503 | 0.82 | — | — | |
| Water SCHEMBL3923379 | 0.82 | — | — | |
| Water SCHEMBL23069278 | 0.67 | — | — | |
| Water SCHEMBL1821670 | 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117813077-A | Composition and method for producing the same | 西姆莱斯股份公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-113710331-B | Antimicrobial mixture | 西姆莱斯股份公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-112702914-B | Antimicrobial mixtures containing at least one hydroxyacetophenone derivative | 西姆莱斯股份公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-117204426-A | Antimicrobial mixtures | 德国德之馨香精香料公司 | 2023-12-12 | — | — | CN | disclosed |
| CN-105219527-B | Tetrahydrofuran derivatives as fragrances | 西姆莱斯股份公司 | 2023-11-14 | — | — | CN | disclosed |
| CN-116997316-A | Perfume mixture containing isochronic alcohol (Isocitronellol) | 西姆莱斯股份公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-116806825-A | Antimicrobial mixture | 西姆莱斯股份公司 | 2023-09-29 | — | — | CN | disclosed |
| CN-116583261-A | Method for combating microorganisms using menthol derivatives | 西姆莱斯股份公司 | 2023-08-11 | — | — | CN | disclosed |
| CN-116490160-A | A mixture containing 1, 2-alkanediol | 西姆莱斯股份公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-113543637-B | Antimicrobial mixture | 西姆莱斯股份公司 | 2023-07-14 | — | — | CN | disclosed |
| US-5493067-A | REACTING PARAFFINS, ISOPARAFFINS AND OLEFINS IN THE PRESENCE OF A CATALYST CONTAINING HETEROPOLYACIDS AND POLYOXOANIONS | SUN COMPANY, INC. (R&M) (US) | 1996-02-20 | — | — | US | disclosed |
| US-5491278-A | Alkylation process using solid superacid catalyst liquid phase | SUN COMPANY, INC. (R&M) (US) | 1996-02-13 | — | — | US | disclosed |
| EP-0653397-A1 | Alkylation process using solid superacid catalyst: liquid phase | SUN COMPANY, INC. (R&M) (US) | 1995-05-17 | — | — | EP | disclosed |
| EP-0653398-A1 | Solid superacid alkylation catalyst compositions and alkylation method using the same | SUN COMPANY, INC. (R&M) (US) | 1995-05-17 | — | — | EP | disclosed |
| US-5321197-A | Using sulfated, calcined oxide catalyst | SUN COMPANY, INC. (R&M) (US) | 1994-06-14 | — | — | US | disclosed |
| US-5310868-A | Alkylation using sulfated and calcined catalyst | SUN COMPANY, INC. (US) | 1994-05-10 | — | — | US | disclosed |
| EP-0550149-A1 | Solid-acid alkylation catalyst compositions and alkylation processes using the same | SUN COMPANY, INC. (R&M) (US) | 1993-07-07 | — | — | EP | disclosed |
| EP-0547791-A1 | Solid-acid alkylation catalyst compositions and alkylation processes using the same | SUN COMPANY, INC. (R&M) (US) | 1993-06-23 | — | — | EP | disclosed |
| US-5214017-A | Metal oxides on sulfated zirconia support | SUN COMPANY, INC. (R&M) (US) | 1993-05-25 | — | — | US | disclosed |
| US-5212136-A | Sulfated metal oxides | SUN COMPANY, INC (R&M) (US) | 1993-05-18 | — | — | US | disclosed |