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 SCHEMBL11356254 | 0.50 | — | — | |
| SCHEMBL7902349 | 0.50 | — | — | |
| SCHEMBL7174151 | 0.50 | — | — | |
| SCHEMBL798394 | 0.50 | — | — | |
| Charcoal, Activated SCHEMBL1535100 | 0.50 | — | — | |
| Water SCHEMBL23023601 | 0.50 | — | — | |
| SCHEMBL8840579 | 0.50 | — | — | |
| SCHEMBL21526121 | 0.50 | — | — | |
| Water SCHEMBL21802560 | 0.50 | — | — | |
| Water SCHEMBL16717771 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2191644-A | — | — | None | — | — | JP | disclosed |
| EP-4034968-A1 | COMPOSITE GRAPHENE ENERGY STORAGE METHODS, DEVICES, AND SYSTEMS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2022-08-03 | — | — | EP | disclosed |
| US-20220199994-A1 | COMPOSITE GRAPHENE ENERGY STORAGE METHODS, DEVICES, AND SYSTEMS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2022-06-23 | — | — | US | disclosed |
| WO-2021062081-A1 | COMPOSITE GRAPHENE ENERGY STORAGE METHODS, DEVICES, AND SYSTEMS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-04-01 | — | — | WO | disclosed |
| US-10938032-B1 | Composite graphene energy storage methods, devices, and systems | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-03-02 | — | — | US | disclosed |
| JP-H02191644-A | RUBBER CORE MATERIAL | SHOWA DENKO KK | 1990-07-27 | — | — | JP | disclosed |