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 SCHEMBL348888 | 0.89 | — | — | |
| Water SCHEMBL2502262 | 0.87 | — | — | |
| Water SCHEMBL28131410 | 0.82 | — | — | |
| Water SCHEMBL28857200 | 0.75 | — | — | |
| Water SCHEMBL441775 | 0.75 | — | — | |
| Water SCHEMBL28172664 | 0.75 | — | — | |
| Water SCHEMBL3628203 | 0.75 | — | — | |
| Water SCHEMBL349062 | 0.75 | — | — | |
| Water SCHEMBL2502590 | 0.75 | — | — | |
| Water SCHEMBL27976132 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113066876-A | Ultraviolet detector and preparation method thereof | 中国科学院长春光学精密机械与物理研究所 | 2021-07-02 | — | — | CN | claimed |