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 SCHEMBL5074981 | 1.00 | — | — | |
| Water SCHEMBL7788791 | 0.82 | — | — | |
| Water SCHEMBL4375774 | 0.82 | — | — | |
| Water SCHEMBL9173 | 0.82 | — | — | |
| Water SCHEMBL374774 | 0.82 | — | — | |
| Water SCHEMBL27451858 | 0.82 | — | — | |
| Water SCHEMBL447745 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL11445085 | 0.67 | — | — | |
| Water SCHEMBL20703393 | 0.67 | — | — | |
| Water SCHEMBL13835876 | 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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113346073-A | Preparation method of lithium-free flexible electrode by ion exchange method | 华中科技大学 | 2021-09-03 | — | — | CN | claimed |
| CN-113346072-A | Integrated forming interface stabilization treatment method and flexible lithium ion battery | 华中科技大学 | 2021-09-03 | — | — | CN | claimed |
| CN-109585959-B | Method for synthesizing novel carbon material adsorbent by using waste battery negative electrode active substance | 天齐锂业资源循环技术研发(江苏)有限公司 | 2021-08-06 | — | — | CN | claimed |
| CN-109585959-A | Utilize the method for old and useless battery negative electrode active material synthesizing new carbon material adsorbent | 天齐锂业资源循环技术研发(江苏)有限公司 | 2019-04-05 | — | — | CN | claimed |
| CN-105401252-B | A kind of preparation method of Flame Retardant PET Fibres | 太原理工大学 | 2017-08-22 | — | — | CN | claimed |
| CN-105401252-A | Preparation method of flame-retardant PET fiber | UNIV TAIYUAN TECHNOLOGY | 2016-03-16 | — | — | CN | claimed |
| CN-103436270-B | Method for preparing core-shell type flame retardant | UNIV TAIYUAN TECHNOLOGY | 2015-06-10 | — | — | CN | claimed |
| CN-103436269-A | Method for preparing flame retardant through coating carbon microsphere with magnesium hydroxide | UNIV TAIYUAN TECHNOLOGY | 2013-12-11 | — | — | CN | claimed |
| CN-103436270-A | Method for preparing core-shell type flame retardant | UNIV TAIYUAN TECHNOLOGY | 2013-12-11 | — | — | CN | claimed |
| CN-113346072-A | Integrated forming interface stabilization treatment method and flexible lithium ion battery | 华中科技大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-113346073-A | Preparation method of lithium-free flexible electrode by ion exchange method | 华中科技大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-113346073-A | Preparation method of lithium-free flexible electrode by ion exchange method | 华中科技大学 | 2021-09-03 | — | — | CN | disclosed |
| CN-109585959-B | Method for synthesizing novel carbon material adsorbent by using waste battery negative electrode active substance | 天齐锂业资源循环技术研发(江苏)有限公司 | 2021-08-06 | — | — | CN | disclosed |
| CN-109585959-A | Utilize the method for old and useless battery negative electrode active material synthesizing new carbon material adsorbent | 天齐锂业资源循环技术研发(江苏)有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-104640569-A | Magnesium hydroxide carbonate as carrier material in active ingredient-containing preparations | MERCK PATENT GMBH | 2015-05-20 | — | — | CN | disclosed |
| CN-104310376-A | Postprocessing crosslinking method of hydrothermally carbonized spherical particles of biomass carbon source material | JIANGSU PROVINCE SPECIAL EQUIPMENT SAFETY SUPERVISION INSPECTION INST BRANCH OF WUXI | 2015-01-28 | — | — | CN | disclosed |
| CN-103436269-A | Method for preparing flame retardant through coating carbon microsphere with magnesium hydroxide | UNIV TAIYUAN TECHNOLOGY | 2013-12-11 | — | — | CN | disclosed |
| CN-103436270-A | Method for preparing core-shell type flame retardant | UNIV TAIYUAN TECHNOLOGY | 2013-12-11 | — | — | CN | disclosed |
| EP-2114919-A2 | PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPERATION | Krka Tovarna Zdravil, D.D., Novo Mesto (SI) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008092939-A2 | PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPARATION | KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) | 2008-08-07 | — | — | WO | disclosed |