⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL88444 | 0.76 | — | — | |
| SCHEMBL493694 | 0.76 | — | — | |
| SCHEMBL27842142 | 0.73 | — | — | |
| SCHEMBL9219475 | 0.73 | — | — | |
| SCHEMBL9971728 | 0.69 | — | — | |
| SCHEMBL6931472 | 0.69 | GABRR1 (0.33) | — | |
| SCHEMBL9227509 | 0.69 | — | — | |
| SCHEMBL21816673 | 0.67 | — | — | |
| SCHEMBL1230597 | 0.67 | — | — | |
| SCHEMBL27962006 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105906569-B | A kind of preparation method of pyrimidine derivatives | 杰达维（上海）医药科技发展有限公司 | 2018-04-24 | — | — | CN | claimed |
| CN-102026981-A | Regioselective preparation of 1-alkyl-3-haloalkylpyrazole-4-carboxylic acid derivatives | BAYER CROPSCIENCE AKTENGESELLS | 2011-04-20 | — | — | CN | claimed |
| EP-1311526-A1 | PROCESSES FOR THE PREPARATION OF OLIGONUCLEOTIDES | ISIS PHARMACEUTICALS, INC. (US) | 2003-05-21 | — | — | EP | claimed |
| WO-2002014340-A1 | PROCESSES FOR THE PREPARATION OF OLIGONUCLEOTIDES_______________ | ISIS PHARMACEUTICALS, INC. (US) | 2002-02-21 | — | — | WO | claimed |
| CN-105906569-B | A kind of preparation method of pyrimidine derivatives | 杰达维（上海）医药科技发展有限公司 | 2018-04-24 | — | — | CN | disclosed |
| EP-1311526-A1 | PROCESSES FOR THE PREPARATION OF OLIGONUCLEOTIDES | ISIS PHARMACEUTICALS, INC. (US) | 2003-05-21 | — | — | EP | disclosed |
| WO-2002014340-A1 | PROCESSES FOR THE PREPARATION OF OLIGONUCLEOTIDES_______________ | ISIS PHARMACEUTICALS, INC. (US) | 2002-02-21 | — | — | WO | disclosed |
| EP-0282895-B1 | 2-oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMA CO LTD (JP) | 1995-06-07 | — | — | EP | disclosed |
| US-5037976-A | Antimicrobial Agent | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-08-06 | — | — | US | disclosed |
| US-4898859-A | 2-Oxa-isocephem compounds and compositions containing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-02-06 | — | — | US | disclosed |
| EP-0282895-A2 | 2-oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-09-21 | — | — | EP | disclosed |