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 SCHEMBL27174252 | 0.87 | — | — | |
| Water SCHEMBL28304034 | 0.87 | — | — | |
| Water SCHEMBL27938585 | 0.87 | — | — | |
| Water SCHEMBL119334 | 0.82 | — | — | |
| Water SCHEMBL11326285 | 0.82 | — | — | |
| Water SCHEMBL1539 | 0.82 | — | — | |
| Water SCHEMBL28370748 | 0.82 | — | — | |
| Water SCHEMBL973253 | 0.82 | — | — | |
| Water SCHEMBL3923379 | 0.82 | — | — | |
| Water SCHEMBL8050234 | 0.82 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9959984-B2 | Three-dimensional graphene composite, preparation method for the same, and supercapacitor comprising the same | INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERISTY (KR) | 2018-05-01 | — | — | US | claimed |
| US-20150340170-A1 | THREE-DIMENSIONAL GRAPHENE COMPOSITE, PREPARATION METHOD FOR THE SAME, AND SUPERCAPACITOR COMPRISING THE SAME | INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) | 2015-11-26 | — | — | US | claimed |
| CN-117800465-A | Manganese doped functionalized polyaluminium chloride flocculant and preparation method and application thereof | 江苏科技大学 | 2024-04-02 | — | — | CN | disclosed |
| US-20220024824-A1 | Ceramic Surface Modification Materials and Methods of Use Thereof | NELUMBO INC (US) | 2022-01-27 | — | — | US | disclosed |
| EP-3894098-A1 | CERAMIC SURFACE MODIFICATION MATERIALS AND METHODS OF USE THEREOF | Nelumbo Inc. (US) | 2021-10-20 | — | — | EP | disclosed |
| CN-113195112-A | Ceramic surface modification material and use method thereof | 尼蓝宝股份有限公司 | 2021-07-30 | — | — | CN | disclosed |
| CN-110518220-A | A kind of nickelic gradient nickel cobalt manganese aluminium quaternary positive electrode and preparation method | UNIV CENTRAL SOUTH | 2019-11-29 | — | — | CN | disclosed |
| US-9959984-B2 | Three-dimensional graphene composite, preparation method for the same, and supercapacitor comprising the same | INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERISTY (KR) | 2018-05-01 | — | — | US | disclosed |
| US-20150340170-A1 | THREE-DIMENSIONAL GRAPHENE COMPOSITE, PREPARATION METHOD FOR THE SAME, AND SUPERCAPACITOR COMPRISING THE SAME | INDUSTRY-ACADEMIC COOPERATION FOUNDATION YONSEI UNIVERSITY (KR) | 2015-11-26 | — | — | US | disclosed |
| US-6787232-B1 | Intercalation compounds and electrodes for batteries | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2004-09-07 | — | — | US | disclosed |
| EP-1080506-A1 | INTERCALATION COMPOUNDS AND ELECTRODES FOR BATTERIES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-03-07 | — | — | EP | disclosed |
| WO-1999056331-A1 | INTERCALATION COMPOUNDS AND ELECTRODES FOR BATTERIES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 1999-11-04 | — | — | WO | disclosed |