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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27116278 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27120087 | 0.90 | — | — | |
| Water SCHEMBL30740474 | 0.70 | — | — | |
| SCHEMBL31123070 | 0.63 | — | — | |
| Potassium Ion SCHEMBL28275731 | 0.60 | — | — | |
| Water SCHEMBL27952286 | 0.60 | — | — | |
| Water SCHEMBL30740492 | 0.60 | — | — | |
| Water SCHEMBL30740428 | 0.60 | — | — | |
| Water SCHEMBL11070084 | 0.57 | TSHR (0.35) | — | |
| Hydrochloric Acid SCHEMBL11835787 | 0.57 | — | — |
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-117396581-A | Stable AIGS film | 纳米系统公司 | 2024-01-12 | — | — | CN | disclosed |