⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18169663 | 0.59 | — | — | |
| SCHEMBL1706714 | 0.55 | — | — | |
| SCHEMBL18284653 | 0.55 | — | — | |
| SCHEMBL18529305 | 0.55 | — | — | |
| SCHEMBL4611579 | 0.55 | — | — | |
| SCHEMBL15560049 | 0.50 | — | — | |
| SCHEMBL21662353 | 0.49 | — | — | |
| SCHEMBL15460010 | 0.48 | — | — | |
| SCHEMBL2704411 | 0.48 | — | — | |
| SCHEMBL4328763 | 0.46 | — | — |
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-2440558-A1 | DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144486-A1 | DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |