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 | |
|---|---|---|---|---|
| SCHEMBL270617 | 0.87 | — | — | |
| SCHEMBL28253762 | 0.80 | — | — | |
| Hydrogen Sulfide SCHEMBL313917 | 0.72 | — | — | |
| SCHEMBL6202466 | 0.71 | — | — | |
| SCHEMBL4456502 | 0.71 | — | — | |
| SCHEMBL6180707 | 0.71 | NOS1 (0.30) | — | |
| SCHEMBL28170582 | 0.67 | — | — | |
| SCHEMBL27518055 | 0.67 | — | — | |
| SCHEMBL8078825 | 0.64 | — | — | |
| SCHEMBL3078634 | 0.62 | — | — |
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-0875142-B1 | Stable pesticide dispersions | ROHM & HAAS (US) | 2003-07-02 | — | — | EP | disclosed |
| US-6210696-B1 | Stable pesticide dispersions | ROHM AND HAAS COMPANY | 2001-04-03 | — | — | US | disclosed |
| EP-0875142-A2 | Stable presticide dispersions | ROHM AND HAAS COMPANY (US) | 1998-11-04 | — | — | EP | disclosed |