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 SCHEMBL27576924 | 0.82 | — | — | |
| Water SCHEMBL28341195 | 0.67 | — | — | |
| Water SCHEMBL1132008 | 0.67 | — | — | |
| Water SCHEMBL8085855 | 0.67 | — | — | |
| Water SCHEMBL23069278 | 0.67 | — | — | |
| Water SCHEMBL22798859 | 0.67 | — | — | |
| Water SCHEMBL21631880 | 0.67 | — | — | |
| Water SCHEMBL22722943 | 0.67 | — | — | |
| Water SCHEMBL435120 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8101300-B2 | Lithium-containing composite oxide of lithium cobaltate, lithium nickel cobalt oxide and lithium nickel cobalt manganese oxide; high operating voltage, high volume capacity density, high safety and excellent cyclic charge and discharge properties, without reduction in the volume capacity density, safety | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2012-01-24 | — | — | US | disclosed |
| US-20080160414-A1 | CATHODE ACTIVE MATERIAL FOR NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY AND ITS PRODUCTION METHOD | AGC SEIMI CHEMICAL CO., LTD. (JP) | 2008-07-03 | — | — | US | disclosed |