⚠ 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 SCHEMBL29207405 | 0.98 | — | — | |
| Propylamine SCHEMBL9248702 | 0.85 | ADRB2 (0.33) | — | |
| SCHEMBL6871658 | 0.76 | — | — | |
| SCHEMBL3535849 | 0.76 | — | — | |
| SCHEMBL9526145 | 0.76 | — | — | |
| SCHEMBL3422333 | 0.73 | SSTR4 (0.35) | — | |
| SCHEMBL5354815 | 0.71 | — | — | |
| SCHEMBL447942 | 0.71 | — | — | |
| SCHEMBL27636031 | 0.71 | — | — | |
| SCHEMBL951888 | 0.70 | SLC6A2 (0.34) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104164384-B | Lactobacillus curvatus and reduce the application of content of nitrosamines in air-dry sausage | 东北农业大学 | 2016-09-28 | — | — | CN | disclosed |
| CN-104164384-A | Lactobacillus curvatus and application thereof in reducing nitrosamine content in air-dried sausage | UNIV NORTHEAST AGRICULTURAL | 2014-11-26 | — | — | CN | disclosed |
| CN-102238950-B | Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use | CHDI FOUNDATION INC (US) | 2014-05-07 | — | — | CN | disclosed |
| CN-102238950-A | Certain kynurenine-3-monooxygenase inhibitors, pharmaceutical compositions, and methods of use | CHDI INC (US) | 2011-11-09 | — | — | CN | disclosed |
| EP-0553552-B1 | Process for the preparation of N-methylmorpholine oxide | HUNTSMAN CORP (US) | 1999-09-29 | — | — | EP | disclosed |
| EP-0553552-A2 | Process for the preparation of N-methylmorpholine oxide | Huntsman Corporation (US) | 1993-08-04 | — | — | EP | disclosed |