⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8197758 | 0.79 | TSHR (0.38) | — | |
| Sebacic Acid SCHEMBL14694964 | 0.77 | PTPN7 (0.47) | — | |
| SCHEMBL2119120 | 0.77 | — | — | |
| SCHEMBL7574257 | 0.77 | — | — | |
| SCHEMBL6682982 | 0.77 | — | — | |
| SCHEMBL10734280 | 0.77 | — | — | |
| SCHEMBL10825721 | 0.77 | — | — | |
| SCHEMBL1556126 | 0.75 | — | — | |
| SCHEMBL645473 | 0.73 | — | — | |
| SCHEMBL4595567 | 0.73 | TSHR (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 161 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109761876-A | The preparation method for treating the drug saxagliptin of diabetes | 深圳市第二人民医院 | 2019-05-17 | — | — | CN | claimed |
| CN-108147996-A | A kind of synthetic method of aryl methylene double pyrazole ester monopotassium salt | 扬州大学 | 2018-06-12 | — | — | CN | claimed |
| CN-107141286-A | The synthetic method of 3 aryl substituted indole piperazines | 南京理工大学 | 2017-09-08 | — | — | CN | claimed |
| CN-106380446-A | Synthesis method of quinoline-2-formic acid ester derivatives | 南阳师范学院 | 2017-02-08 | — | — | CN | claimed |
| CN-106380463-A | Method for synthesis of quinoline derivatives | 南阳师范学院 | 2017-02-08 | — | — | CN | claimed |
| CN-106366035-A | Method for synthesizing quinoline derivative | 南阳师范学院 | 2017-02-01 | — | — | CN | claimed |
| CN-106349147-A | Synthetic method of pyrrole derivatives | 南阳师范学院 | 2017-01-25 | — | — | CN | claimed |
| CN-104447528-B | The preparation method of pyridine-2,3-diethyl dicarboxylate | 浙江大学 | 2016-08-24 | — | — | CN | claimed |
| CN-104447528-A | Preparation method of diethylpyridine-2,3-dicarboxylate | UNIV ZHEJIANG | 2015-03-25 | — | — | CN | claimed |
| CN-104003995-A | Pyrone-[3, 4-b] indole derivative and synthetic method thereof | UNIV SHANGHAI JIAOTONG | 2014-08-27 | — | — | CN | claimed |
| CN-103224482-A | Isocoumarin compound, derivatives and synthesis method thereof | UNIV SHANGHAI JIAOTONG | 2013-07-31 | — | — | CN | claimed |
| EP-1283704-A2 | PHARMACEUTICAL COMPOSITIONS FOR TRANSDERMAL ADMINISTRATION OF ANTI-INFLAMMATORY AGENTS | Sanofi-Aventis (FR) | 2003-02-19 | — | — | EP | claimed |
| WO-2001085143-A2 | PHARMACEUTICAL COMPOSITIONS FOR TRANSDERMAL ADMINISTRATION OF ANTI-INFLAMMATORY AGENTS | SANOFI-SYNTHELABO (FR) | 2001-11-15 | — | — | WO | claimed |
| EP-0817621-A1 | PHARMACEUTICAL COMPOSITION FOR TRANSDERMIC DELIVERY | SANOFI (FR) | 1998-01-14 | — | — | EP | claimed |
| WO-1996030000-A1 | PHARMACEUTICAL COMPOSITION FOR TRANSDERMIC DELIVERY | SANOFI (FR) | 1996-10-03 | — | — | WO | claimed |
| CN-110256383-A | Dibenzofurans acrylic ester compound and preparation method thereof | 浙江大学城市学院 | 2019-09-20 | — | — | CN | disclosed |
| CN-110218190-A | A kind of synthetic method of tetrahydropyrimidine analog derivative | 曲阜师范大学 | 2019-09-10 | — | — | CN | disclosed |
| EP-0231044-A2 | Process for the preparation of a diester of a dicarboxylic acid | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1987-08-05 | — | — | EP | disclosed |
| EP-0194707-A2 | Process for the hydrocarboxylation of acetylenically unsaturated compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-09-17 | — | — | EP | disclosed |
| EP-0186228-A1 | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1986-07-02 | — | — | EP | disclosed |