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 SCHEMBL7430 | 1.00 | — | — | |
| Water SCHEMBL5138674 | 0.82 | — | — | |
| Water SCHEMBL11069842 | 0.82 | — | — | |
| Water SCHEMBL7867880 | 0.82 | — | — | |
| Water SCHEMBL5531717 | 0.82 | — | — | |
| Water SCHEMBL25436825 | 0.82 | — | — | |
| Water SCHEMBL612955 | 0.82 | — | — | |
| Water SCHEMBL10488427 | 0.82 | — | — | |
| Water SCHEMBL5576086 | 0.82 | — | — | |
| Water SCHEMBL2586483 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118851195-A | Compound barium aluminum borate, barium aluminum borate nonlinear optical crystal, preparation method and application thereof | 天津理工大学 | 2024-10-29 | — | — | CN | claimed |
| WO-2022149473-A1 | POWDER CONTAINING BARIUM TITANATE NANOCRYSTALS AND METHOD FOR PRODUCING SAME | 堺化学工業株式会社 | 2022-07-14 | — | — | WO | disclosed |
| CN-107104534-A | A kind of motor damping shell mechanism | 河南质量工程职业学院 | 2017-08-29 | — | — | CN | disclosed |
| CN-105977531-A | Preparation method for LiBaLaZrAlREO lithium ion solid electrolyte | 上海应用技术学院 | 2016-09-28 | — | — | CN | disclosed |