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 SCHEMBL6157801 | 0.89 | — | — | |
| Water SCHEMBL7642848 | 0.89 | — | — | |
| Water SCHEMBL9233609 | 0.87 | — | — | |
| Water SCHEMBL27827343 | 0.87 | — | — | |
| Water SCHEMBL7635301 | 0.82 | — | — | |
| Water SCHEMBL7638098 | 0.82 | — | — | |
| Water SCHEMBL27906259 | 0.75 | — | — | |
| Water SCHEMBL8043518 | 0.75 | — | — | |
| SCHEMBL2246538 | 0.71 | — | — | |
| SCHEMBL235882 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103022455-B | For the high magnification of lithium battery and the cathode material of high-energy | 伊格皮切尔科技有限责任公司 | 2017-11-17 | — | — | CN | claimed |
| CN-103022455-A | High rate and energy cathode material for lithium batteries | EAGLEPICHER TECHNOLOGIES LLC | 2013-04-03 | — | — | CN | claimed |
| CN-103022455-B | For the high magnification of lithium battery and the cathode material of high-energy | 伊格皮切尔科技有限责任公司 | 2017-11-17 | — | — | CN | disclosed |
| CN-103022455-B | For the high magnification of lithium battery and the cathode material of high-energy | 伊格皮切尔科技有限责任公司 | 2017-11-17 | — | — | CN | disclosed |
| CN-103022455-A | High rate and energy cathode material for lithium batteries | EAGLEPICHER TECHNOLOGIES LLC | 2013-04-03 | — | — | CN | disclosed |