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 SCHEMBL7934376 | 0.87 | — | — | |
| Ammonia Solution, Strong SCHEMBL28036987 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL5078361 | 0.82 | — | — | |
| Water SCHEMBL379837 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL4520667 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL21934 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL343850 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL3112390 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL5873257 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL3418085 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20060079711-A1 | Method of producing diol derivatives | HAYASHI TOSHIO | 2006-04-13 | — | — | US | disclosed |
| US-7005536-B2 | Method for producing diol derivatives | NIPPON SHOKUBAI CO., LTD. (JP) | 2006-02-28 | — | — | US | disclosed |
| EP-1553076-A1 | PROCESS FOR PRODUCING DIOL DERIVATIVE | Nippon Shokubai Co., Ltd. (JP) | 2005-07-13 | — | — | EP | disclosed |
| US-20040138409-A1 | Method for producing diol derivatives | NIPPON SHOKUBAI CO., LTD. (JP) | 2004-07-15 | — | — | US | disclosed |