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 SCHEMBL27906259 | 0.87 | — | — | |
| Water SCHEMBL28149841 | 0.87 | — | — | |
| Water SCHEMBL9445430 | 0.87 | — | — | |
| Water SCHEMBL29055895 | 0.67 | — | — | |
| Water SCHEMBL22612537 | 0.67 | — | — | |
| Water SCHEMBL28716633 | 0.67 | — | — | |
| Water SCHEMBL4649985 | 0.67 | — | — | |
| Water SCHEMBL9233609 | 0.67 | — | — | |
| Water SCHEMBL609928 | 0.67 | — | — | |
| Water SCHEMBL2520979 | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102586878-B | Compound of barium bismuth boron oxygen and compound of barium bismuth boron oxygen optical crystal and its production and use | THE XINJIANG TECHNICAL INSTITUTE OF PHYSICS & CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2015-09-09 | — | — | CN | claimed |
| CN-102586878-A | Compound of barium, bismuth, boron and oxygen, optical crystal of compound of barium, bismuth, boron and oxygen and preparation method and application thereof | XINJIANG TECH INST PHYSICS CAS | 2012-07-18 | — | — | CN | claimed |
| CN-109439021-A | A kind of method of mechanical force and chemical auxiliary preparation high temperature resistant bismuth trioxide pigment | 中国科学院兰州化学物理研究所 | 2019-03-08 | — | — | CN | disclosed |
| CN-104520115-B | laser marking compositions and related methods | 费罗公司 | 2018-03-16 | — | — | CN | disclosed |
| CN-102586878-B | Compound of barium bismuth boron oxygen and compound of barium bismuth boron oxygen optical crystal and its production and use | THE XINJIANG TECHNICAL INSTITUTE OF PHYSICS & CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) | 2015-09-09 | — | — | CN | disclosed |
| CN-104520115-A | Laser marking compositions and related methods | FERRO CORP | 2015-04-15 | — | — | CN | disclosed |
| CN-103998539-A | Derect printing composition | DOW CORNING | 2014-08-20 | — | — | CN | disclosed |
| CN-102586878-A | Compound of barium, bismuth, boron and oxygen, optical crystal of compound of barium, bismuth, boron and oxygen and preparation method and application thereof | XINJIANG TECH INST PHYSICS CAS | 2012-07-18 | — | — | CN | disclosed |
| EP-1042536-B1 | CERAMIC COMPOSITE ELECTROLYTIC DEVICE AND METHOD FOR MANUFACTURE THEREOF | IGR ENTPR INC (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1042536-A4 | CERAMIC COMPOSITE ELECTROLYTIC DEVICE AND METHODS FOR MANUFACTURE THEREOF | IGR ENTPR INC (US) | 2002-10-09 | — | — | EP | disclosed |
| US-6132573-A | Ceramic composite electrolytic device and methods for manufacture thereof | IGR ENTERPRISES, INC. (US) | 2000-10-17 | — | — | US | disclosed |
| EP-1042536-A1 | CERAMIC COMPOSITE ELECTROLYTIC DEVICE AND METHODS FOR MANUFACTURE THEREOF | IGR ENTERPRISES, INC. (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999029930-A1 | CERAMIC COMPOSITE ELECTROLYTIC DEVICE AND METHODS FOR MANUFACTURE THEREOF | IGR ENTERPRISES, INC. (US) | 1999-06-17 | — | — | WO | disclosed |