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 SCHEMBL22722943 | 0.87 | — | — | |
| Water SCHEMBL27662604 | 0.75 | — | — | |
| Water SCHEMBL8939908 | 0.75 | — | — | |
| Water SCHEMBL27597849 | 0.75 | — | — | |
| Water SCHEMBL3405293 | 0.75 | — | — | |
| Water SCHEMBL2502590 | 0.75 | — | — | |
| Water SCHEMBL29247986 | 0.75 | — | — | |
| Water SCHEMBL20556993 | 0.75 | — | — | |
| Water SCHEMBL29071099 | 0.75 | — | — | |
| Water SCHEMBL27287895 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0232094-B1 | Chemical preparation of zirconium-aluminum-magnesium oxide composites | DOW CHEMICAL CO (US) | 1993-11-03 | — | — | EP | disclosed |
| US-4880757-A | SINTERING, PRECIPITATED OXIDE PRECURSORS | THE DOW CHEMICAL COMPANY (US) | 1989-11-14 | — | — | US | disclosed |
| EP-0232094-A2 | Chemical preparation of zirconium-aluminum-magnesium oxide composites | THE DOW CHEMICAL COMPANY (US) | 1987-08-12 | — | — | EP | disclosed |