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 | |
|---|---|---|---|---|
| SCHEMBL30882005 | 0.82 | — | — | |
| Water SCHEMBL617672 | 0.82 | — | — | |
| SCHEMBL40340 | 0.82 | — | — | |
| SCHEMBL746700 | 0.82 | — | — | |
| Water SCHEMBL3822307 | 0.82 | — | — | |
| Water SCHEMBL23002030 | 0.67 | — | — | |
| Water SCHEMBL1339216 | 0.67 | — | — | |
| Water SCHEMBL18529884 | 0.67 | — | — | |
| Water SCHEMBL10886625 | 0.67 | — | — | |
| Water SCHEMBL446266 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7160837-B2 | Mixed conductor and mixed conductor producing method | KABUSHIKIKAISHA EQUOS RESEARCH (JP) | 2007-01-09 | — | — | US | claimed |
| US-20040227129-A1 | Mixed conductor and mixed conductor producing method | HASEGAWA NORIFUMI (JP) | 2004-11-18 | — | — | US | claimed |
| EP-1760809-B1 | FUEL CELL | EQUOS RESEARCH KK (JP) | 2012-05-30 | — | — | EP | disclosed |
| US-7776477-B2 | supported metal catalyst, where catalyst support is formed by polymerizing a carbon source such as resorcinol with a proton conducting material to form high molecular weight intermediate, followed by pyrolysis to form inorganic hybrid catalyst support; exhibiting both proton and electron conductivity | KABUSHIKIKAISHA EQOUS RESEARCH (JP) | 2010-08-17 | — | — | US | disclosed |
| US-7479241-B2 | electroconductive ; intercalation compound; polyaniline, polythiophene, polypyrrole | KABUSHIKIKAISHA EQUOS RESEARCH (JP) | 2009-01-20 | — | — | US | disclosed |
| US-20080206625-A1 | Fuel Cell With Novel Reaction Layer | KABUSHIKIKAISHA EQUOS RESEARCH (JP) | 2008-08-28 | — | — | US | disclosed |
| EP-1760809-A1 | FUEL CELL | Kabushikikaisha Equos Research (JP) | 2007-03-07 | — | — | EP | disclosed |
| US-7160837-B2 | Mixed conductor and mixed conductor producing method | KABUSHIKIKAISHA EQUOS RESEARCH (JP) | 2007-01-09 | — | — | US | disclosed |
| EP-1626414-A1 | MIXED CONDUCTOR | Kabushiki Kaisha Equos Research (JP) | 2006-02-15 | — | — | EP | disclosed |
| US-20050104045-A1 | electroconductive ; intercalation compound; polyaniline, polythiophene, polypyrrole | KABUSHIKIKAISHA EQUOS RESEARCH (JP) | 2005-05-19 | — | — | US | disclosed |
| US-20040227129-A1 | Mixed conductor and mixed conductor producing method | HASEGAWA NORIFUMI (JP) | 2004-11-18 | — | — | US | disclosed |