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 | |
|---|---|---|---|---|
| SCHEMBL28436309 | 0.62 | — | — | |
| SCHEMBL7713754 | 0.62 | — | — | |
| SCHEMBL3187920 | 0.62 | — | — | |
| SCHEMBL27884552 | 0.62 | — | — | |
| SCHEMBL315517 | 0.62 | — | — | |
| SCHEMBL7763681 | 0.61 | — | — | |
| SCHEMBL4021598 | 0.61 | — | — | |
| SCHEMBL409648 | 0.61 | — | — | |
| SCHEMBL722805 | 0.61 | — | — | |
| SCHEMBL8215477 | 0.61 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6419819-B1 | ROASTING; ION EXCHANGING | EXXONMOBIL OIL CORPORATION | 2002-07-16 | — | — | US | disclosed |
| US-6063262-A | TRIVALENT AND TETRAVALENT METAL OXIDES WITH COBALT AND/OR MANGANESE | MOBIL OIL CORPORATION (US) | 2000-05-16 | — | — | US | disclosed |
| EP-0777627-B1 | SYNTHESIS OF NOVEL MOLECULAR SIEVES USING A METAL COMPLEX AS A TEMPLATE | UNIV TEXAS (US) | 2000-05-03 | — | — | EP | disclosed |
| US-5648058-A | CONTAINING BIS(PENTAMETHYLCYCLOPENTADIENYL) COBALT (III) ION | BOARD OF REGENTS, THE UNIV. OF TEXAS SYSTEM (US) | 1997-07-15 | — | — | US | disclosed |
| US-5603914-A | MIXING BIS/PENTAMETHYLCYCLOPENTADIENYL/ COBALT/III/SALT WITH SILICON AND PHOSPHOROUS OXIDES AND ALUMINUM SALT YIELDS COBALT ION COMPLEX TRAPPED IN CRYSTALLINE MOLECULAR SIEVES | BOARD OF REGENTS, THE UNIV. OF TEXAS SYSTEM (US) | 1997-02-18 | — | — | US | disclosed |
| US-5489424-A | PORE DIAMETER GREATER THAN 7.2 ANGSTROMS; CATALYSTS | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-02-06 | — | — | US | disclosed |