⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4599434 | 0.77 | — | — | |
| SCHEMBL4599944 | 0.76 | POLB (0.30) | — | |
| SCHEMBL4599594 | 0.76 | — | — | |
| SCHEMBL4600055 | 0.72 | POLB (0.31) | — | |
| SCHEMBL29072539 | 0.72 | MEN1 (0.41) | — | |
| SCHEMBL8170185 | 0.69 | PLAU (0.38) | — | |
| SCHEMBL4328076 | 0.69 | DYRK1A (0.43) | — | |
| SCHEMBL2292289 | 0.69 | MAP2K4 (0.38) | — | |
| SCHEMBL161280 | 0.69 | — | — | |
| SCHEMBL4672018 | 0.68 | ATM (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1910320-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | Mitsubishi Tanabe Pharma Corporation (JP) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007011065-A2 | INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2007-01-25 | — | — | WO | disclosed |