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 SCHEMBL4915809 | 0.87 | — | — | |
| Water SCHEMBL27976132 | 0.75 | — | — | |
| Water SCHEMBL29247986 | 0.75 | — | — | |
| Water SCHEMBL349062 | 0.75 | — | — | |
| SCHEMBL8731240 | 0.71 | — | — | |
| SCHEMBL8829640 | 0.71 | — | — | |
| SCHEMBL11506861 | 0.71 | — | — | |
| Water SCHEMBL348888 | 0.67 | — | — | |
| Water SCHEMBL23036709 | 0.58 | — | — | |
| Water SCHEMBL22612537 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117393622-A | Wafer-level bump electrode array device based on two-dimensional semiconductor and preparation method thereof | 电子科技大学 | 2024-01-12 | — | — | CN | claimed |
| CN-117352519-A | Photoelectric synaptic device array based on two-dimensional semiconductor and preparation method thereof | 电子科技大学 | 2024-01-05 | — | — | CN | claimed |