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 SCHEMBL27563632 | 0.78 | — | — | |
| Water SCHEMBL609928 | 0.78 | — | — | |
| Water SCHEMBL28716633 | 0.78 | — | — | |
| Water SCHEMBL28137667 | 0.67 | — | — | |
| Water SCHEMBL6712889 | 0.67 | — | — | |
| Water SCHEMBL27461299 | 0.67 | — | — | |
| Water SCHEMBL8043518 | 0.67 | — | — | |
| SCHEMBL25173621 | 0.63 | — | — | |
| SCHEMBL32689468 | 0.63 | — | — | |
| SCHEMBL30464517 | 0.63 | — | — |
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-7026271-B1 | Chemical pinning centers for high temperature superconductors | WEINSTEIN ROY | 2006-04-11 | — | — | US | disclosed |
| US-6869915-B2 | Chemical pinning centers for high temperature superconductors | WEINSTEIN ROY (US) | 2005-03-22 | — | — | US | disclosed |
| US-20040198610-A1 | Chemical pinning centers for high temperature superconductors | WEINSTEIN ROY (US) | 2004-10-07 | — | — | US | disclosed |