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 SCHEMBL29508944 | 0.82 | — | — | |
| Water SCHEMBL6028065 | 0.78 | — | — | |
| Water SCHEMBL9233609 | 0.67 | — | — | |
| Water SCHEMBL2520979 | 0.67 | — | — | |
| Water SCHEMBL9144706 | 0.67 | — | — | |
| Water SCHEMBL4902089 | 0.67 | — | — | |
| Water SCHEMBL6415228 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL16010881 | 0.67 | — | — | |
| Water SCHEMBL22612537 | 0.67 | — | — | |
| Water SCHEMBL11668655 | 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-114308031-A | Perovskite type oxide material doped with noble metal and preparation method thereof | 江苏洋井环保服务有限公司 | 2022-04-12 | — | — | CN | disclosed |