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 SCHEMBL8757394 | 0.82 | — | — | |
| Water SCHEMBL93168 | 0.82 | — | — | |
| Water SCHEMBL28238332 | 0.82 | — | — | |
| Water SCHEMBL3141816 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL9485586 | 0.67 | — | — | |
| Water SCHEMBL3106776 | 0.67 | — | — | |
| SCHEMBL7547909 | 0.67 | — | — | |
| Water SCHEMBL8769616 | 0.67 | — | — | |
| SCHEMBL820238 | 0.67 | — | — | |
| Potassium Ion SCHEMBL5535268 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116002774-B | Composite multielement precursor and preparation method and application thereof | 蜂巢能源科技(无锡)有限公司 | 2024-09-03 | — | — | CN | claimed |
| CN-116002774-A | Composite multielement precursor and preparation method and application thereof | 蜂巢能源科技(无锡)有限公司 | 2023-04-25 | — | — | CN | claimed |
| US-20020165092-A1 | Catalyst for selective hydrogenation, its preparation process and application | BEJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2002-11-07 | — | — | US | claimed |
| CN-116002774-B | Composite multielement precursor and preparation method and application thereof | 蜂巢能源科技(无锡)有限公司 | 2024-09-03 | — | — | CN | disclosed |
| CN-116002774-A | Composite multielement precursor and preparation method and application thereof | 蜂巢能源科技(无锡)有限公司 | 2023-04-25 | — | — | CN | disclosed |
| CN-116002774-A | Composite multielement precursor and preparation method and application thereof | 蜂巢能源科技(无锡)有限公司 | 2023-04-25 | — | — | CN | disclosed |
| US-6797669-B2 | OF ALKYNES, DIENES | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2004-09-28 | — | — | US | disclosed |
| US-20020165092-A1 | Catalyst for selective hydrogenation, its preparation process and application | BEJING RESEARCH INSTITUTE OF CHEMICAL INDUSTRY, CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2002-11-07 | — | — | US | disclosed |