⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL169073 | 0.97 | — | — | |
| SCHEMBL19637957 | 0.93 | — | — | |
| SCHEMBL30888737 | 0.88 | TTR (0.35) | — | |
| SCHEMBL12496179 | 0.84 | — | — | |
| SCHEMBL4996500 | 0.84 | — | — | |
| SCHEMBL6098133 | 0.75 | — | — | |
| SCHEMBL8314717 | 0.73 | THRB (0.41) | — | |
| SCHEMBL45855 | 0.71 | — | — | |
| SCHEMBL14128211 | 0.71 | — | — | |
| SCHEMBL19637964 | 0.69 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113461653-B | Method for preparing fraxidin intermediate, and preparation intermediate and application thereof | 洛阳惠中兽药有限公司 | 2022-09-02 | — | — | CN | claimed |
| CN-113461653-A | Method for preparing fraxidin intermediate, and preparation intermediate and application thereof | 洛阳惠中兽药有限公司 | 2021-10-01 | — | — | CN | claimed |
| CN-111423425-A | Synthetic method of furan spice with cereal fragrance | 安徽华业香料股份有限公司 | 2020-07-17 | — | — | CN | claimed |
| CN-111303138-A | Synthetic method of furan spice with fruity flavor | 安徽华业香料股份有限公司 | 2020-06-19 | — | — | CN | claimed |
| CN-113461653-B | Method for preparing fraxidin intermediate, and preparation intermediate and application thereof | 洛阳惠中兽药有限公司 | 2022-09-02 | — | — | CN | disclosed |
| CN-113461653-A | Method for preparing fraxidin intermediate, and preparation intermediate and application thereof | 洛阳惠中兽药有限公司 | 2021-10-01 | — | — | CN | disclosed |
| CN-111423425-A | Synthetic method of furan spice with cereal fragrance | 安徽华业香料股份有限公司 | 2020-07-17 | — | — | CN | disclosed |
| CN-111303138-A | Synthetic method of furan spice with fruity flavor | 安徽华业香料股份有限公司 | 2020-06-19 | — | — | CN | disclosed |
| EP-2203429-A1 | PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS | Nissan Chemical Industries, Ltd. (JP) | 2010-07-07 | — | — | EP | disclosed |
| WO-2009057827-A1 | PYRIDAZINONE DERIVATIVES AND USE THEREOF AS P2X7 RECEPTOR INHIBITORS | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |