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 SCHEMBL27528 | 0.82 | — | — | |
| Water SCHEMBL447745 | 0.82 | — | — | |
| Water SCHEMBL27451858 | 0.82 | — | — | |
| Water SCHEMBL4674371 | 0.82 | — | — | |
| Water SCHEMBL374774 | 0.82 | — | — | |
| Water SCHEMBL23002030 | 0.67 | — | — | |
| Water SCHEMBL20526183 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL22091879 | 0.67 | — | — | |
| Phosphine SCHEMBL21359898 | 0.67 | — | — | |
| Water SCHEMBL20703393 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2106852-A1 | CATALYST FOR DEHYDROGENATION OF ALKYL AROMATIC COMPOUND WHICH HAS IMPROVED PHYSICAL PROPERTIES, METHOD FOR PRODUCTION OF THE CATALYST, AND DEHYDROGENATION METHOD | Sued-Chemie Catalysts Japan, Inc. (JP) | 2009-10-07 | — | — | EP | claimed |
| CN-101631612-B | Alkyl aromatic compound dehydrogenation catalyst having improved physical strength, process for producing the same, and dehydrogenation method | SUED CHEMIE CATALYSTS JP INC | 2013-07-03 | — | — | CN | disclosed |
| CN-101631612-A | Alkyl aromatic compound dehydrogenation catalyst having improved physical strength, process for producing the same, and dehydrogenation method | SUED CHEMIE CATALYSTS JP INC | 2010-01-20 | — | — | CN | disclosed |
| EP-2106852-A1 | CATALYST FOR DEHYDROGENATION OF ALKYL AROMATIC COMPOUND WHICH HAS IMPROVED PHYSICAL PROPERTIES, METHOD FOR PRODUCTION OF THE CATALYST, AND DEHYDROGENATION METHOD | Sued-Chemie Catalysts Japan, Inc. (JP) | 2009-10-07 | — | — | EP | disclosed |