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 SCHEMBL73275 | 0.82 | — | — | |
| Water SCHEMBL284882 | 0.82 | — | — | |
| Water SCHEMBL27576924 | 0.82 | — | — | |
| Water SCHEMBL28875829 | 0.78 | — | — | |
| Water SCHEMBL12987713 | 0.67 | — | — | |
| Water SCHEMBL717711 | 0.67 | — | — | |
| Water SCHEMBL8085855 | 0.67 | — | — | |
| Water SCHEMBL28341195 | 0.67 | — | — | |
| Water SCHEMBL435120 | 0.67 | — | — | |
| Water SCHEMBL670269 | 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 |
|---|---|---|---|---|---|---|---|
| CN-110247029-A | A kind of preparation method of small grain size high additive niobium tungsten tantalum cobaltosic oxide | 金川集团股份有限公司 | 2019-09-17 | — | — | CN | disclosed |
| CN-110078132-A | A kind of method that intermittence cladding prepares doped cobaltic-cobaltous oxide | 金川集团股份有限公司 | 2019-08-02 | — | — | CN | disclosed |
| CN-110071275-A | A kind of preparation method coating metal cobaltosic oxide | 金川集团股份有限公司 | 2019-07-30 | — | — | CN | disclosed |
| CN-108455686-A | A kind of preparation method for mixing niobium tungsten tantalum cobaltosic oxide | 兰州金川新材料科技股份有限公司 | 2018-08-28 | — | — | CN | disclosed |