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 SCHEMBL845974 | 0.87 | — | — | |
| Water SCHEMBL27906259 | 0.75 | — | — | |
| Water SCHEMBL26122071 | 0.75 | — | — | |
| Water SCHEMBL27657637 | 0.75 | — | — | |
| SCHEMBL28181290 | 0.71 | — | — | |
| Water SCHEMBL379837 | 0.71 | — | — | |
| SCHEMBL663352 | 0.71 | — | — | |
| Water SCHEMBL26131283 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL4136439 | 0.58 | — | — | |
| Hydrogen Sulfide SCHEMBL1491981 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8258906-B2 | Superconducting magnetizer | GENERAL ELECTRIC COMPANY (US) | 2012-09-04 | — | — | US | disclosed |
| US-20110037545-A1 | SUPERCONDUCTING MAGNETIZER | GENERAL ELECTRIC COMPANY (US) | 2011-02-17 | — | — | US | disclosed |
| EP-2284981-A2 | Superconducting magnetiser | General Electric Company (US) | 2011-02-16 | — | — | EP | disclosed |