Known targets — ChEMBL curated mechanism
GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQ
The experimentally established mechanism targets of Ammonia Solution, Strong. 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL28232917 | 0.87 | — | — | |
| Water SCHEMBL6142606 | 0.82 | — | — | |
| Water SCHEMBL27455594 | 0.82 | — | — | |
| Water SCHEMBL8143527 | 0.82 | — | — | |
| Water SCHEMBL29152753 | 0.82 | — | — | |
| Water SCHEMBL1759 | 0.82 | — | — | |
| Water SCHEMBL4114559 | 0.82 | — | — | |
| Water SCHEMBL23069276 | 0.67 | — | — | |
| Water SCHEMBL10835633 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL11027260 | 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-110484330-A | A kind of preparation method of antiwear additive | LIU QUNYAN | 2019-11-22 | — | — | CN | claimed |
| CN-110453265-A | A kind of preparation method of aluminium alloy anode oxide film hole sealing agent | LIU JUNWEI | 2019-11-15 | — | — | CN | claimed |
| CN-110484330-A | A kind of preparation method of antiwear additive | LIU QUNYAN | 2019-11-22 | — | — | CN | disclosed |
| CN-110453265-A | A kind of preparation method of aluminium alloy anode oxide film hole sealing agent | LIU JUNWEI | 2019-11-15 | — | — | CN | disclosed |
| CN-110438349-A | The method of high-purity ammonium molybdate is prepared from low-grade molybdenum material | HEBEI XINRUI RECYCLING RESOURCES UTILIZATION CO LTD | 2019-11-12 | — | — | CN | disclosed |
| CN-110438349-A | The method of high-purity ammonium molybdate is prepared from low-grade molybdenum material | HEBEI XINRUI RECYCLING RESOURCES UTILIZATION CO LTD | 2019-11-12 | — | — | CN | disclosed |
| CN-110227481-A | A kind of catalyst for hydroprocessing of heavy oil and preparation method thereof | 中化泉州石化有限公司 | 2019-09-13 | — | — | CN | disclosed |
| WO-1995029126-A1 | A METHOD FOR MAKING MOLYBDENUM AND SULFUR CONTAINING COMPOUNDS | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1995-11-02 | — | — | WO | disclosed |