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 | |
|---|---|---|---|---|
| SCHEMBL98339 | 0.97 | — | — | |
| SCHEMBL1725286 | 0.97 | ACHE (0.48) | — | |
| Hydrochloric Acid SCHEMBL28535067 | 0.93 | ACHE (0.46) | — | |
| Bromide SCHEMBL367211 | 0.93 | — | — | |
| Bromide SCHEMBL29826568 | 0.93 | — | — | |
| Fluoride Ion SCHEMBL1444615 | 0.93 | — | — | |
| Iodide SCHEMBL679778 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL365128 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL28535069 | 0.93 | KMT2A (0.50) | — | |
| Benzene SCHEMBL7050963 | 0.93 | KMT2A (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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-55147253-A | — | — | None | — | — | JP | disclosed |
| CN-112585092-B | Molecular sieve and method for manufacturing molecular sieve | 埃克森美孚科技工程公司 | 2025-03-04 | — | — | CN | disclosed |
| EP-4277941-B1 | COMPOSITIONS CONTAINING URETDIONE GROUPS | COVESTRO DEUTSCHLAND AG (DE) | 2025-01-01 | — | — | EP | disclosed |
| EP-4277941-A1 | COMPOSITIONS COMPRISING URETDIONES | Covestro Deutschland AG (DE) | 2023-11-22 | — | — | EP | disclosed |
| EP-4201883-A2 | MOLECULAR SIEVES AND A PROCESS FOR MAKING MOLECULAR SIEVES | ExxonMobil Technology and Engineering Company (US) | 2023-06-28 | — | — | EP | disclosed |
| EP-4180396-A2 | MOLECULAR SIEVES AND A PROCESS FOR MAKING MOLECULAR SIEVES | ExxonMobil Technology and Engineering Company (US) | 2023-05-17 | — | — | EP | disclosed |
| WO-2022152536-A1 | COMPOSITIONS COMPRISING URETDIONES | COVESTRO DEUTSCHLAND AG (DE) | 2022-07-21 | — | — | WO | disclosed |
| EP-4029892-A1 | COMPOSITIONS CONTAINING URETDIONE GROUPS | Covestro Deutschland AG (DE) | 2022-07-20 | — | — | EP | disclosed |
| US-11318450-B2 | Molecular sieves and a process for making molecular sieves | EXXONMOBIL RESEARCH & ENGINEERING COMPANY (US) | 2022-05-03 | — | — | US | disclosed |
| US-11318451-B2 | Molecular sieves and a process for making molecular sieves | EXXONMOBIL RESEARCH & ENGINEERING COMPANY (US) | 2022-05-03 | — | — | US | disclosed |
| EP-2662332-A1 | MANUFACTURING METHOD FOR FLUORINE-CONTAINING SULFONYL IMIDE SALT | Nippon Soda Co., Ltd. (JP) | 2013-11-13 | — | — | EP | disclosed |
| EP-1988109-B1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS INC (JP) | 2013-05-29 | — | — | EP | disclosed |
| US-8434866-B2 | Polymerizable composition for optical material, optical material, and method for preparing the optical material | MITSUI CHEMICALS, INC. (JP) | 2013-05-07 | — | — | US | disclosed |
| US-20130109572-A1 | HERBICIDAL COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2013-05-02 | — | — | US | disclosed |
| WO-2012006313-A2 | HERBICIDAL COMPOSITIONS AND METHODS OF USE | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) | 2012-01-12 | — | — | WO | disclosed |
| US-20110190466-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2011-08-04 | — | — | US | disclosed |
| EP-2341091-A1 | POLYMERIZABLE COMPOUND FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND OPTICAL MATERIAL MANUFACTURING METHOD | Mitsui Chemicals, Inc. (JP) | 2011-07-06 | — | — | EP | disclosed |
| US-20100075154-A1 | POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND METHOD FOR PREPARING THE OPTICAL MATERIAL | MITSUI CHEMICALS, INC. (JP) | 2010-03-25 | — | — | US | disclosed |
| EP-1988109-A1 | POLYMERIZABLE COMPOSITION FOR POLYTHIOURETHANE OPTICAL MATERIAL | Mitsui Chemicals, Inc. (JP) | 2008-11-05 | — | — | EP | disclosed |
| JP-S55147253-A | PREPARATION OF AROMATIC CARBAMIC ACID ESTER | MITSUBISHI CHEM IND LTD | 1980-11-17 | — | — | JP | disclosed |