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 SCHEMBL28239689 | 0.87 | — | — | |
| Water SCHEMBL22798859 | 0.87 | — | — | |
| Water SCHEMBL28698072 | 0.75 | — | — | |
| Water SCHEMBL28924841 | 0.75 | — | — | |
| Water SCHEMBL27174253 | 0.75 | — | — | |
| Water SCHEMBL29200302 | 0.75 | — | — | |
| Water SCHEMBL28742665 | 0.75 | — | — | |
| Water SCHEMBL22798862 | 0.75 | — | — | |
| Water SCHEMBL29259826 | 0.75 | — | — | |
| Water SCHEMBL787916 | 0.71 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109898092-A | A kind of half electrolytic water device of double reaction electrodes | 武汉科技大学 | 2019-06-18 | — | — | CN | claimed |
| CN-109898092-A | A kind of half electrolytic water device of double reaction electrodes | 武汉科技大学 | 2019-06-18 | — | — | CN | disclosed |