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 | |
|---|---|---|---|---|
| Iodide SCHEMBL1537060 | 0.94 | — | — | |
| Fluoride Ion SCHEMBL1895919 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL6741842 | 0.94 | — | — | |
| SCHEMBL2872893 | 0.65 | USP2 (0.31) | — | |
| SCHEMBL16924442 | 0.62 | — | — | |
| SCHEMBL16908975 | 0.62 | — | — | |
| SCHEMBL3305683 | 0.61 | — | — | |
| Water SCHEMBL25350900 | 0.58 | TSHR (0.33) | — | |
| Water SCHEMBL21823213 | 0.58 | ERAP1 (0.49) | — | |
| SCHEMBL3110422 | 0.57 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11571654-B2 | Ethylene separations using a small pore zeolite with CDO framework | CHEVRON U.S.A. INC. (US) | 2023-02-07 | — | — | US | disclosed |
| WO-2022266002-A1 | ARTIFICIAL INTELLIGENCE DIRECTED ZEOLITE SYNTHESIS | CHEVRON U.S.A. INC. (US) | 2022-12-22 | — | — | WO | disclosed |
| WO-2022053885-A1 | ETHYLENE SEPARATIONS USING A SMALL PORE ZEOLITE WITH CDO FRAMEWORK | CHEVRON U.S.A. INC. (US) | 2022-03-17 | — | — | WO | disclosed |
| US-20220072468-A1 | ETHYLENE SEPARATIONS USING A SMALL PORE ZEOLITE WITH CDO FRAMEWORK | CHEVRON U.S.A. INC. | 2022-03-10 | — | — | US | disclosed |
| US-10427947-B2 | Methods for producing crystalline microporous solids with the RTH topology and compositions derived from the same | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-10-01 | — | — | US | disclosed |
| US-20180079651-A1 | NOVEL METHODS FOR PRODUCING CRYSTALLINE MICROPOROUS SOLIDS WITH THE RTH TOPOLOGY AND COMPOSITIONS DERIVED FROM THE SAME | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2018-03-22 | — | — | US | disclosed |
| US-9908783-B2 | Methods for producing crystalline microporous solids with the RTH topology and compositions derived from the same | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-03-06 | — | — | US | disclosed |
| US-9873113-B2 | Methods for producing crystalline microporous solids with a new CIT-7 topology and compositions derived from the same | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-01-23 | — | — | US | disclosed |
| US-9861968-B2 | Methods for producing crystalline microporous solids with the HEU topology and compositions derived from the same | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-01-09 | — | — | US | disclosed |
| US-9782759-B2 | Methods for producing crystalline microporous solids with IWV topology and compositions derived from the same | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-10-10 | — | — | US | disclosed |
| US-9604197-B2 | Crystalline molecular sieves and related structure-directing agents, methods and systems | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-03-28 | — | — | US | disclosed |
| US-20150202612-A1 | NOVEL METHODS FOR PRODUCING CRYSTALLINE MICROPOROUS SOLIDS WITH THE RTH TOPOLOGY AND COMPOSITIONS DERIVED FROM THE SAME | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-07-23 | — | — | US | disclosed |
| US-20150203358-A1 | NOVEL METHODS FOR PRODUCING CRYSTALLINE MICROPOROUS SOLIDS WITH IWV TOPOLOGY AND COMPOSITIONS DERIVED FROM THE SAME | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-07-23 | — | — | US | disclosed |
| US-20150203357-A1 | NOVEL METHODS FOR PRODUCING CRYSTALLINE MICROPOROUS SOLIDS WITH A NEW CIT-7 TOPOLOGY AND COMPOSITIONS DERIVED FROM THE SAME | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-07-23 | — | — | US | disclosed |
| US-20150202603-A1 | NOVEL METHODS FOR PRODUCING CRYSTALLINE MICROPOROUS SOLIDS WITH THE HEU TOPOLOGY AND COMPOSITIONS DERIVED FROM THE SAME | NATIONAL SCIENCE FOUNDATION | 2015-07-23 | — | — | US | disclosed |
| US-20150110712-A1 | CRYSTALLINE MOLECULAR SIEVES AND RELATED STRUCTURE-DIRECTING AGENTS, METHODS AND SYSTEMS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2015-04-23 | — | — | US | disclosed |