⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29316988 | 0.85 | MEN1 (0.34) | — | |
| SCHEMBL13713103 | 0.83 | MEN1 (0.37) | — | |
| SCHEMBL19604869 | 0.83 | MEN1 (0.37) | — | |
| SCHEMBL14113751 | 0.78 | — | — | |
| SCHEMBL4623324 | 0.77 | DPP7 (0.45) | — | |
| SCHEMBL25026706 | 0.76 | CARM1 (0.39) | — | |
| SCHEMBL12536012 | 0.76 | — | — | |
| SCHEMBL9005096 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL4885466 | 0.76 | DPP7 (0.44) | — | |
| SCHEMBL25552673 | 0.76 | ATM (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3800188-A1 | SUBSTITUTED PYRAZOLOPYRIMIDINES AS IRAK4 INHIBITORS | Bayer AG (DE) | 2021-04-07 | — | — | EP | disclosed |
| WO-2008139986-A1 | NEW CYCLIC PEPTIDE COMPOUNDS | ASTELLAS PHARMA INC., (JP) | 2008-11-20 | — | — | WO | disclosed |