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 SCHEMBL10354548 | 1.00 | — | — | |
| Water SCHEMBL11504594 | 1.00 | — | — | |
| Water SCHEMBL9242792 | 1.00 | — | — | |
| Water SCHEMBL24590 | 0.82 | — | — | |
| Water SCHEMBL11581100 | 0.67 | — | — | |
| Water SCHEMBL10354528 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL11787694 | 0.67 | — | — | |
| Water SCHEMBL8750572 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL2860098 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL4269696 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0707883-B1 | Catalyst and method for purifying exhaust gases | N E CHEMCAT CORP (JP) | 2000-05-31 | — | — | EP | disclosed |
| US-6022826-A | REFRACTORY INORGANIC SUPPORT CONTAINING A COMBINATION OF A PLATINUM COMPONENT AND ONE OR MORE BISMUTH OXIDES TO CONVERT CARBON MONOXIDE TO CARBON DIOXIDE IN THE PRESENCE OF OXYGEN; EXHAUST AND WASTE GASES; AIR POLLUTION CONTROL | ENGELHARD CORPORATION (US) | 2000-02-08 | — | — | US | disclosed |
| US-5849256-A | Method for oxidizing carbon monoxide in a gas stream containing oxidizable sulphur compounds | ENGELHARD CORPORATION (US) | 1998-12-15 | — | — | US | disclosed |
| EP-0707883-A2 | Catalyst and method for purifying exhaust gases | N.E. CHEMCAT CORPORATION (JP) | 1996-04-24 | — | — | EP | disclosed |