⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20395127 | 0.83 | — | — | |
| SCHEMBL293194 | 0.80 | CXCR4 (0.44) | — | |
| SCHEMBL27869476 | 0.76 | SIGMAR1 (0.34) | — | |
| SCHEMBL27869477 | 0.76 | SIGMAR1 (0.34) | — | |
| SCHEMBL8392314 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL8391174 | 0.74 | ALDH1A1 (0.43) | — | |
| SCHEMBL55509 | 0.72 | CXCR4 (0.41) | — | |
| SCHEMBL6262395 | 0.71 | — | — | |
| SCHEMBL13620122 | 0.71 | — | — | |
| SCHEMBL27749428 | 0.71 | GLB1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1038586-C | Pyrazine derivatives and process for preparing same | OTSUKA PHARMA CO LTD (JP) | 1998-06-03 | — | — | CN | disclosed |
| CN-1114834-A | antidiabetic agent | OTSUKA PHARMA CO LTD (JP) | 1996-01-10 | — | — | CN | disclosed |
| EP-0670831-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-09-13 | — | — | EP | disclosed |
| WO-1995009159-A1 | QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1995-04-06 | — | — | WO | disclosed |
| CN-1067053-A | Pyrazines derivatives and preparation method thereof | OTSUKA PHARMA CO LTD (JP) | 1992-12-16 | — | — | CN | disclosed |