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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2220905 | 0.75 | — | — | |
| Bromide SCHEMBL6013555 | 0.75 | — | — | |
| Fluoride Ion SCHEMBL8633499 | 0.75 | — | — | |
| Iodide SCHEMBL11555695 | 0.75 | — | — | |
| Water SCHEMBL23749257 | 0.67 | — | — | |
| Potassium Ion SCHEMBL19510317 | 0.67 | — | — | |
| SCHEMBL9418272 | 0.67 | — | — | |
| SCHEMBL1246904 | 0.58 | — | — | |
| SCHEMBL178 | 0.58 | — | — | |
| SCHEMBL23451699 | 0.50 | — | — |
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 467 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104926848-A | Method for preparing methyl boric acid | CANGZHOU PURUI DONGFANG SCIENCE & TECHNOLOGY CO LTD | 2015-09-23 | — | — | CN | claimed |
| CN-104829511-A | Synthesizing process of Ezetimibe | GUANGZHOU NANXIN PHARMACEUTICAL CO LTD | 2015-08-12 | — | — | CN | claimed |
| CN-102643299-B | Method for preparing aliphatic boric acid by ethylene diamine tetraacetic acid (EDTA) trisodium salt | LIANHUA CHEMISTRY CO LTD DALIAN | 2015-02-25 | — | — | CN | claimed |
| CN-104341370-A | Preparation method of cetilistat | SHANDONG CHUANGXIN PHARMACEUTICAL RES AND DEV CO LTD | 2015-02-11 | — | — | CN | claimed |
| CN-104163825-A | Improved methylboronic acid preparation method | CHONGQING SHENGHUAXI PHARMA CO | 2014-11-26 | — | — | CN | claimed |
| CN-103183695-A | Method for preparing fatty boric acid by utilizing isopropoxyboric acid pinacol ester | LIANHUA CHEMISTRY CO LTD DALIAN | 2013-07-03 | — | — | CN | claimed |
| CN-103044181-A | Method for preparing octene-1 by ethylene tetramerization reaction | PETROCHINA CO LTD | 2013-04-17 | — | — | CN | claimed |
| CN-103030660-A | Technological method for synthesizing methylboronic acid | LIANHUA CHEMISTRY CO LTD DALIAN | 2013-04-10 | — | — | CN | claimed |
| CN-102898501-A | Method for preparing bortezomib with (one)-cypress camphor serving as chiral auxiliary reagent | ZHU JINTAO | 2013-01-30 | — | — | CN | claimed |
| CN-102643299-A | Method for preparing aliphatic boric acid by ethylene diamine tetraacetic acid (EDTA) trisodium salt | LIANHUA CHEMISTRY CO LTD DALIAN | 2012-08-22 | — | — | CN | claimed |
| CN-1636989-B | Single reactors synthesis method of KOH-capped polyols based on DMC-synthesized intermediates | BAYER MATERIALSCIENCE LLC | 2011-04-13 | — | — | CN | claimed |
| CN-101657457-A | Be used to prepare 1,3, the method for 2-oxa-boron acridine compound | ZACH SYSTEM FR | 2010-02-24 | — | — | CN | claimed |
| CN-1636989-A | Single reactors synthesis of KOH-capped polyols based on DMC-synthesized intermediates | BAYER MATERIALSCIENCE LLC (US) | 2005-07-13 | — | — | CN | claimed |
| EP-1412284-A2 | COMPOSITION FOR TREATING CELLS AND METHODS FOR QUALITATIVELY AND QUANTITATIVELY CUSTOMIZING THE FORMULATION THEREOF FOR A HEURISTICALLY DERIVED LIVING CELL NUTRIENT-COMPOSITION-ON-DEMAND | Runkis, Walter H. (US) | 2004-04-28 | — | — | EP | claimed |
| CN-1122672-C | Process for the preparation of azacyclohexapeptides | MERCK & CO INC (US) | 2003-10-01 | — | — | CN | claimed |
| US-20030073580-A1 | Composition for treating cells and method for qualitatively and quantitatively customizing the formulation thereof | RUNKIS WALTER H (US) | 2003-04-17 | — | — | US | claimed |
| WO-2002100772-A2 | COMPOSITION AND METHOD FOR TREATING CELLS AND PLANTS | RUNKIS WALTER H (US) | 2002-12-19 | — | — | WO | claimed |
| CN-1222161-A | Process for preparing certain aza cyclohexapeptides | MERCK & CO INC (US) | 1999-07-07 | — | — | CN | claimed |
| CN-104341370-B | Preparation method of cetilistat | 山东创新药物研发有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-87104110-A | PHOSPHORUS-CONTAINING LUBRICANT AND FUNCTIONAL FLUID COMPOSITIONS | — | 1988-06-22 | — | — | CN | disclosed |