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 SCHEMBL284882 | 0.82 | — | — | |
| Water SCHEMBL20292 | 0.82 | — | — | |
| Water SCHEMBL15142096 | 0.67 | — | — | |
| Water SCHEMBL11336527 | 0.67 | — | — | |
| Lithium Ion SCHEMBL6872479 | 0.67 | — | — | |
| Water SCHEMBL3628115 | 0.67 | — | — | |
| Water SCHEMBL15901531 | 0.67 | — | — | |
| Water SCHEMBL15019930 | 0.67 | — | — | |
| Water SCHEMBL1662669 | 0.67 | — | — | |
| Water SCHEMBL20970284 | 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 |
|---|---|---|---|---|---|---|---|
| CN-101580379-B | Nb-doped nano indium tin oxide powder and method for preparing high density sputtering coating target thereof | UNIV BEIHANG | 2012-05-16 | — | — | CN | claimed |
| CN-101580379-A | Nb-doped nano indium tin oxide powder and method for preparing high density sputtering coating target thereof | UNIV BEIJING BUAA (CN) | 2009-11-18 | — | — | CN | claimed |
| CN-101580379-B | Nb-doped nano indium tin oxide powder and method for preparing high density sputtering coating target thereof | UNIV BEIHANG | 2012-05-16 | — | — | CN | disclosed |
| CN-101580379-A | Nb-doped nano indium tin oxide powder and method for preparing high density sputtering coating target thereof | UNIV BEIJING BUAA (CN) | 2009-11-18 | — | — | CN | disclosed |