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 SCHEMBL29256106 | 0.82 | — | — | |
| Water SCHEMBL29071099 | 0.75 | — | — | |
| Water SCHEMBL2502590 | 0.75 | — | — | |
| Water SCHEMBL27287895 | 0.75 | — | — | |
| Water SCHEMBL9510582 | 0.75 | — | — | |
| Water SCHEMBL29247986 | 0.75 | — | — | |
| Water SCHEMBL3405293 | 0.75 | — | — | |
| Water SCHEMBL27610808 | 0.75 | — | — | |
| SCHEMBL20362 | 0.71 | — | — | |
| SCHEMBL21612689 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118706906-A | Optical communication and gas perception integrated device | 国科大杭州高等研究院 | 2024-09-27 | — | — | CN | claimed |
| JP-8175872-A | — | — | None | — | — | JP | disclosed |
| CN-118706906-A | Optical communication and gas perception integrated device | 国科大杭州高等研究院 | 2024-09-27 | — | — | CN | disclosed |
| JP-H08175872-A | SILICON NITRIDE-BASED SINTERED BODY AND ITS PRODUCTION | KYOCERA CORP | 1996-07-09 | — | — | JP | disclosed |