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 SCHEMBL27876420 | 0.75 | — | — | |
| Water SCHEMBL27714538 | 0.75 | — | — | |
| Water SCHEMBL28047894 | 0.75 | — | — | |
| Water SCHEMBL10006512 | 0.75 | — | — | |
| Water SCHEMBL29055896 | 0.75 | — | — | |
| Water SCHEMBL6712889 | 0.75 | — | — | |
| SCHEMBL9001268 | 0.71 | — | — | |
| Lithium Ion SCHEMBL6872481 | 0.58 | — | — | |
| SCHEMBL3906794 | 0.58 | — | — | |
| Water SCHEMBL2520979 | 0.58 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110606738-A | High-insulation electronic ceramic material and production process thereof | 湖南湘梅花电子陶瓷有限公司 | 2019-12-24 | — | — | CN | claimed |
| CN-110606738-A | High-insulation electronic ceramic material and production process thereof | 湖南湘梅花电子陶瓷有限公司 | 2019-12-24 | — | — | CN | disclosed |
| CN-105084889-A | Modified electronic ceramic material and preparation method thereof | SUZHOU KAIOUMAN NEW MATERIAL CO LTD | 2015-11-25 | — | — | CN | disclosed |