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 SCHEMBL30444620 | 0.89 | — | — | |
| Water SCHEMBL27685168 | 0.80 | — | — | |
| Water SCHEMBL6473788 | 0.80 | — | — | |
| Water SCHEMBL226314 | 0.80 | — | — | |
| SCHEMBL27633006 | 0.78 | — | — | |
| SCHEMBL24673 | 0.78 | — | — | |
| Water SCHEMBL27656737 | 0.73 | — | — | |
| SCHEMBL23581242 | 0.67 | — | — | |
| SCHEMBL9159484 | 0.67 | — | — | |
| SCHEMBL8366114 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102294245-B | Pore-enlarged nickel oxide-calcium oxide / alumina composite catalyst, and preparation and application thereof | UNIV ZHEJIANG | 2013-10-30 | — | — | CN | disclosed |
| CN-102294245-B | Pore-enlarged nickel oxide-calcium oxide / alumina composite catalyst, and preparation and application thereof | UNIV ZHEJIANG | 2013-10-30 | — | — | CN | disclosed |
| CN-102294245-B | Pore-enlarged nickel oxide-calcium oxide / alumina composite catalyst, and preparation and application thereof | UNIV ZHEJIANG | 2013-10-30 | — | — | CN | disclosed |
| CN-102294245-A | Pore-enlarged nickel oxide-calcium oxide / alumina composite catalyst, and preparation and application thereof | — | 2011-12-28 | — | — | CN | disclosed |
| CN-102294245-A | Pore-enlarged nickel oxide-calcium oxide / alumina composite catalyst, and preparation and application thereof | — | 2011-12-28 | — | — | CN | disclosed |
| CN-102294245-A | Pore-enlarged nickel oxide-calcium oxide / alumina composite catalyst, and preparation and application thereof | — | 2011-12-28 | — | — | CN | disclosed |