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 SCHEMBL1245577 | 0.87 | — | — | |
| Water SCHEMBL28172664 | 0.75 | — | — | |
| Water SCHEMBL25296946 | 0.75 | — | — | |
| Water SCHEMBL26113966 | 0.75 | — | — | |
| SCHEMBL11130716 | 0.71 | — | — | |
| SCHEMBL8679371 | 0.71 | — | — | |
| SCHEMBL560948 | 0.71 | — | — | |
| SCHEMBL8371144 | 0.71 | — | — | |
| SCHEMBL8678326 | 0.71 | — | — | |
| Water SCHEMBL29176504 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117199309-A | Positive electrode material and positive electrode plate for sodium ion battery, and preparation method and application thereof | 上海领钫新能源科技有限公司 | 2023-12-08 | — | — | CN | claimed |