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 SCHEMBL27798128 | 0.89 | — | — | |
| Water SCHEMBL6855583 | 0.87 | — | — | |
| Water SCHEMBL27708883 | 0.75 | — | — | |
| Water SCHEMBL30133367 | 0.75 | — | — | |
| Water SCHEMBL10792675 | 0.75 | — | — | |
| Water SCHEMBL9763225 | 0.75 | — | — | |
| Water SCHEMBL27752699 | 0.75 | — | — | |
| Water SCHEMBL8050234 | 0.71 | — | — | |
| Water SCHEMBL93168 | 0.71 | — | — | |
| Water SCHEMBL11326285 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11385169-B1 | Self-indicating colorimetric response materials for removal and sensing of toxic chemicals and narcotics | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2022-07-12 | — | — | US | disclosed |
| US-10732098-B1 | Self-indicating colorimetric response materials for removal and sensing of toxic chemicals and narcotics | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) | 2020-08-04 | — | — | US | disclosed |