⚠ 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 | |
|---|---|---|---|---|
| Acetonitrile SCHEMBL30540156 | 0.92 | — | — | |
| SCHEMBL6807600 | 0.86 | — | — | |
| SCHEMBL29015229 | 0.81 | POLA1 (0.37) | — | |
| SCHEMBL28613712 | 0.80 | — | — | |
| SCHEMBL28622163 | 0.80 | — | — | |
| SCHEMBL28789887 | 0.78 | — | — | |
| SCHEMBL2999677 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL30664889 | 0.76 | — | — | |
| SCHEMBL9867207 | 0.75 | — | — | |
| SCHEMBL28570049 | 0.73 | HSD11B1 (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4329513-A1 | A COMPOSITION OF THE ENERGY DRINK AND A METHOD OF ITS MANUFACTURING | Reijonen, Mika Tapio (FI) | 2024-03-06 | — | — | EP | disclosed |
| WO-2022229494-A1 | A COMPOSITION OF THE ENERGY DRINK AND A METHOD OF ITS MANUFACTURING | REIJONEN MIKA TAPIO (FI) | 2022-11-03 | — | — | WO | disclosed |
| CN-104198621-B | A kind of Simultaneously test method of multiclass antiseptic Special migration in paper and paperboard | Cigarette industry Co., Ltd in Yunnan (CN) | 2016-04-13 | — | — | CN | disclosed |
| CN-104198621-A | Method for simultaneous determination of special migration volume of multiple preservatives in paper and paperboard | CHINA TOBACCO YUNNAN IND CO LTD | 2014-12-10 | — | — | CN | disclosed |
| CN-103267811-A | High performance liquid chromatographic detection method for ethylparaben in fermentation broth of brevibacillus brevis strain | AGRICULTURAL BIORESOURCES INST FUJIAN ACADEMY AGRICULTURAL SCIENCES | 2013-08-28 | — | — | CN | disclosed |