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 SCHEMBL31733919 | 0.87 | — | — | |
| Water SCHEMBL27827276 | 0.87 | — | — | |
| Water SCHEMBL27455072 | 0.87 | — | — | |
| Water SCHEMBL27434437 | 0.87 | — | — | |
| Lithium Ion SCHEMBL6875780 | 0.75 | — | — | |
| Water SCHEMBL284820 | 0.71 | — | — | |
| Water SCHEMBL284882 | 0.71 | — | — | |
| Water SCHEMBL28875829 | 0.67 | — | — | |
| Lithium Ion SCHEMBL6872479 | 0.58 | — | — | |
| Water SCHEMBL7157870 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110523546-A | The cleaning method of fluorine ion in dynamic wave scrubber nozzle, dynamic wave scrubber and tantalum niobium hydroxide | GUANGDONG ZHIYUAN NEW MAT CO LTD | 2019-12-03 | — | — | CN | disclosed |