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 | |
|---|---|---|---|---|
| SCHEMBL21820035 | 0.75 | — | — | |
| SCHEMBL19716222 | 0.75 | — | — | |
| Water SCHEMBL488063 | 0.71 | — | — | |
| SCHEMBL15547338 | 0.67 | — | — | |
| Water SCHEMBL6655152 | 0.58 | — | — | |
| Ammonia Solution, Strong SCHEMBL4595411 | 0.58 | — | — | |
| Water SCHEMBL10886625 | 0.58 | — | — | |
| SCHEMBL8840579 | 0.50 | — | — | |
| SCHEMBL798394 | 0.50 | — | — | |
| SCHEMBL10525442 | 0.50 | — | — |
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-116178845-A | Preparation method of antibacterial weather-resistant PE/PP plastic | 贵州白鹿塑料制品有限公司 | 2023-05-30 | — | — | CN | claimed |
| CN-121591986-B | Polyurethane foam based on halogen-free bio-based flame-retardant polyether polyol and preparation method thereof | JIANGSU LVYUAN NEW MATERIALS CO.,LTD. (CN) | 2026-05-26 | — | — | CN | disclosed |
| CN-116178845-A | Preparation method of antibacterial weather-resistant PE/PP plastic | 贵州白鹿塑料制品有限公司 | 2023-05-30 | — | — | CN | disclosed |