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 SCHEMBL16468522 | 1.00 | — | — | |
| Water SCHEMBL28269621 | 0.87 | — | — | |
| Water SCHEMBL29760910 | 0.87 | — | — | |
| Water SCHEMBL62991 | 0.87 | — | — | |
| SCHEMBL135093 | 0.87 | — | — | |
| Water SCHEMBL1132008 | 0.87 | — | — | |
| Water SCHEMBL30385855 | 0.87 | — | — | |
| SCHEMBL31268715 | 0.87 | — | — | |
| Water SCHEMBL108322 | 0.87 | — | — | |
| SCHEMBL15226239 | 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 |
|---|---|---|---|---|---|---|---|
| US-12098463-B2 | Method for manufacturing amorphous multielement metal oxide hydroxide film | NATIONAL SUN YAT-SEN UNIVERSITY (TW) | 2024-09-24 | — | — | US | disclosed |
| US-20220145467-A1 | Method for Manufacturing Amorphous Multielement Metal Oxide Hydroxide Film | NATIONAL SUN YAT-SEN UNIVERSITY (TW) | 2022-05-12 | — | — | US | disclosed |