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 | |
|---|---|---|---|---|
| SCHEMBL557585 | 0.82 | — | — | |
| Water SCHEMBL62334 | 0.82 | — | — | |
| Water SCHEMBL27862970 | 0.77 | — | — | |
| Silver SCHEMBL61471 | 0.73 | — | — | |
| SCHEMBL5407170 | 0.73 | — | — | |
| Water SCHEMBL23209656 | 0.73 | — | — | |
| Water SCHEMBL10659100 | 0.73 | — | — | |
| Water SCHEMBL21357004 | 0.73 | — | — | |
| SCHEMBL4349083 | 0.73 | — | — | |
| SCHEMBL16243880 | 0.73 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8445416-B2 | For rolling/sliding steel surfaces; for reducing lateral force in a rail system | L.B. FOSTER RAIL TECHNOLOGIES, CORP. (CA) | 2013-05-21 | — | — | US | disclosed |
| CN-101166558-B | Warm moxibustion device | 21REFRESH CO LTD | 2011-01-19 | — | — | CN | disclosed |
| CN-101679723-A | Solid stick compositions comprising vinyl ester | KELSAN TECHNOLOGIES CORP | 2010-03-24 | — | — | CN | disclosed |
| EP-2108024-A1 | SOLID STICK COMPOSITIONS COMPRISING VINYL ESTER | Kelsan Technologies Corp. (CA) | 2009-10-14 | — | — | EP | disclosed |
| US-20080182766-A1 | Solid stick compositions comprising vinyl ester | KELSAN TECHNOLOGIES CORPORATION | 2008-07-31 | — | — | US | disclosed |
| WO-2008089572-A1 | SOLID STICK COMPOSITIONS COMPRISING VINYL ESTER | KELSAN TECHNOLOGIES CORP. (CA) | 2008-07-31 | — | — | WO | disclosed |
| CN-101166558-A | Warm moxibustion device | 21REFRESH CO LTD (JP) | 2008-04-23 | — | — | CN | disclosed |
| CN-1310847-C | Alumina-magnesia graphite type refractory | KROSAKI CORP (JP) | 2007-04-18 | — | — | CN | disclosed |
| CN-1291177-A | alumina-magnesia-graphite refractory material | KROSAKI CORP (JP) | 2001-04-11 | — | — | CN | disclosed |