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 SCHEMBL609928 | 0.87 | — | — | |
| Water SCHEMBL9233609 | 0.87 | — | — | |
| Water SCHEMBL27906259 | 0.75 | — | — | |
| Water SCHEMBL27898529 | 0.75 | — | — | |
| SCHEMBL28103367 | 0.71 | — | — | |
| SCHEMBL14976158 | 0.71 | — | — | |
| Water SCHEMBL379837 | 0.71 | — | — | |
| Water SCHEMBL7641655 | 0.67 | — | — | |
| Water SCHEMBL7642848 | 0.67 | — | — | |
| Water SCHEMBL6157801 | 0.67 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113194596-A | High-temperature superconducting multipole magnet structure and particle medical equipment thereof | 合肥工业大学 | 2021-07-30 | — | — | CN | claimed |
| CN-110234197-B | High-temperature superconducting quadrupole magnet structure suitable for particle medical transport technology | 合肥工业大学 | 2021-05-25 | — | — | CN | claimed |
| CN-113194596-A | High-temperature superconducting multipole magnet structure and particle medical equipment thereof | 合肥工业大学 | 2021-07-30 | — | — | CN | disclosed |
| CN-113194596-A | High-temperature superconducting multipole magnet structure and particle medical equipment thereof | 合肥工业大学 | 2021-07-30 | — | — | CN | disclosed |
| CN-110234197-B | High-temperature superconducting quadrupole magnet structure suitable for particle medical transport technology | 合肥工业大学 | 2021-05-25 | — | — | CN | disclosed |
| CN-1539172-A | Superconductor method and reactor | ��������幫˾ | 2004-10-20 | — | — | CN | disclosed |
| US-6013950-A | Semiconductor diode with external field modulation | SANDIA CORPORATION (US) | 2000-01-11 | — | — | US | disclosed |