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 SCHEMBL1132008 | 0.87 | — | — | |
| Water SCHEMBL25217281 | 0.87 | — | — | |
| Water SCHEMBL21631880 | 0.87 | — | — | |
| Water SCHEMBL28269621 | 0.87 | — | — | |
| Water SCHEMBL10660625 | 0.75 | — | — | |
| Water SCHEMBL16715311 | 0.75 | — | — | |
| Zinc Ion SCHEMBL2684491 | 0.75 | — | — | |
| Water SCHEMBL28924841 | 0.75 | — | — | |
| Water SCHEMBL29611399 | 0.75 | — | — | |
| Water SCHEMBL1054629 | 0.75 | — | — |
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-109473645-A | A kind of zinc cobalt-manganese ternary spinelle/N doping redox graphene composite material and preparation method | 江苏大学 | 2019-03-15 | — | — | CN | disclosed |
| CN-109473645-A | A kind of zinc cobalt-manganese ternary spinelle/N doping redox graphene composite material and preparation method | 江苏大学 | 2019-03-15 | — | — | CN | disclosed |