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 SCHEMBL28233367 | 0.87 | — | — | |
| Water SCHEMBL28097199 | 0.82 | — | — | |
| Water SCHEMBL18395883 | 0.82 | — | — | |
| Water SCHEMBL19162 | 0.82 | — | — | |
| Water SCHEMBL44406 | 0.82 | — | — | |
| Water SCHEMBL26118228 | 0.82 | — | — | |
| Water SCHEMBL7430 | 0.82 | — | — | |
| Water SCHEMBL25436825 | 0.67 | — | — | |
| Water SCHEMBL3388266 | 0.67 | — | — | |
| Water SCHEMBL11069842 | 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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115991481-A | Compound lanthanum strontium chloroborate and lanthanum barium chloroborate, nonlinear optical crystal thereof and preparation method and application thereof | 天津理工大学 | 2023-04-21 | — | — | CN | claimed |
| CN-101723428-B | Method for preparing low strontium barium hydroxide | BEIJING WANKUN JIAHONG SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) | 2011-12-07 | — | — | CN | claimed |
| CN-101723428-A | Method for preparing low strontium barium hydroxide | BEIJING WANKUNJIAHONG TECHNOLO | 2010-06-09 | — | — | CN | claimed |
| CN-115991481-A | Compound lanthanum strontium chloroborate and lanthanum barium chloroborate, nonlinear optical crystal thereof and preparation method and application thereof | 天津理工大学 | 2023-04-21 | — | — | CN | disclosed |
| CN-106186026-A | A kind of preparation method of composite | 马丽芝 | 2016-12-07 | — | — | CN | disclosed |
| CN-106186028-A | Blanc fixe production method and application | 马丽芝 | 2016-12-07 | — | — | CN | disclosed |
| CN-106064825-A | A kind of preparation method of modified master | 马丽芝 | 2016-11-02 | — | — | CN | disclosed |
| CN-101723428-B | Method for preparing low strontium barium hydroxide | BEIJING WANKUN JIAHONG SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) | 2011-12-07 | — | — | CN | disclosed |
| CN-101723428-B | Method for preparing low strontium barium hydroxide | BEIJING WANKUN JIAHONG SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) | 2011-12-07 | — | — | CN | disclosed |
| CN-101723428-B | Method for preparing low strontium barium hydroxide | BEIJING WANKUN JIAHONG SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) | 2011-12-07 | — | — | CN | disclosed |
| CN-101723428-A | Method for preparing low strontium barium hydroxide | BEIJING WANKUNJIAHONG TECHNOLO | 2010-06-09 | — | — | CN | disclosed |
| CN-101723428-A | Method for preparing low strontium barium hydroxide | BEIJING WANKUNJIAHONG TECHNOLO | 2010-06-09 | — | — | CN | disclosed |
| CN-101723428-A | Method for preparing low strontium barium hydroxide | BEIJING WANKUNJIAHONG TECHNOLO | 2010-06-09 | — | — | CN | disclosed |
| US-20070031323-A1 | Method for preparing perovskite oxide nanopowder | POSTECH FOUNDATION (KR) | 2007-02-08 | — | — | US | disclosed |