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 SCHEMBL27528 | 0.82 | — | — | |
| Water SCHEMBL4674371 | 0.82 | — | — | |
| Water SCHEMBL2687272 | 0.67 | — | — | |
| Water SCHEMBL4164215 | 0.67 | — | — | |
| Water SCHEMBL3181558 | 0.67 | — | — | |
| Water SCHEMBL23002030 | 0.67 | — | — | |
| Water SCHEMBL6700008 | 0.67 | — | — | |
| Water SCHEMBL6230760 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL17797766 | 0.67 | — | — | |
| Water SCHEMBL20526183 | 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 |
|---|---|---|---|---|---|---|---|
| CN-106219589-B | A kind of production technology of low-sulfur cerium hydroxide | 乐山沃耐稀电子材料有限公司 | 2017-09-15 | — | — | CN | disclosed |
| CN-106219589-A | A kind of production technology of low-sulfur cerium hydroxide | 乐山沃耐稀电子材料有限公司 | 2016-12-14 | — | — | CN | disclosed |