Known targets — ChEMBL curated mechanism
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 SCHEMBL5030871 | 0.94 | — | — | |
| Water SCHEMBL5132847 | 0.94 | — | — | |
| Fluoride Ion SCHEMBL915814 | 0.88 | — | — | |
| Water SCHEMBL29412183 | 0.88 | — | — | |
| Water SCHEMBL7133981 | 0.86 | — | — | |
| Water SCHEMBL5032660 | 0.86 | — | — | |
| Water SCHEMBL665585 | 0.86 | — | — | |
| Water SCHEMBL913944 | 0.86 | — | — | |
| SCHEMBL31395841 | 0.86 | — | — | |
| SCHEMBL31488664 | 0.86 | — | — |
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-105308000-B | Cement system comprising accelerator particles coated with cross-linked shellac | 建筑研究和技术有限公司 | 2018-08-10 | — | — | CN | claimed |
| US-20190162798-A1 | ATOMIC FORCIPES AND NUCLEAR MAGNETIC ISOTOPE SEPARATION METHOD AND APPARATUS | FULLLIVE INTERNATIONAL LTD. (TW) | 2019-05-30 | — | — | US | disclosed |
| CN-103497713-B | Adhesive composition | 考里安国际公司 | 2018-07-17 | — | — | CN | disclosed |
| CN-104288749-A | Traditional Chinese medicine composition for treating pig gastric ulcer and preparation method thereof | TIANJIN DAYS NONGDA BIOTECHNOLOGY DEV LTD COMPANY | 2015-01-21 | — | — | CN | disclosed |
| US-20130101643-A1 | METHODS AND COMPOSITIONS FOR MITIGATING PROCTITIS | Salient Pharmaceuticals Incorporated (US) | 2013-04-25 | — | — | US | disclosed |