⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15074915 | 0.76 | — | — | |
| SCHEMBL3672804 | 0.72 | — | — | |
| SCHEMBL13176887 | 0.70 | — | — | |
| SCHEMBL3639426 | 0.68 | — | — | |
| SCHEMBL20302618 | 0.68 | — | — | |
| SCHEMBL5500006 | 0.67 | — | — | |
| SCHEMBL994791 | 0.67 | — | — | |
| SCHEMBL12586784 | 0.67 | — | — | |
| SCHEMBL14040256 | 0.67 | — | — | |
| SCHEMBL11766495 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3280701-B1 | A METHOD OF CHIRAL RESOLUTION OF THE KEY INTERMEDIATE OF THE SYNTHESIS OF APREMILAST AND ITS USE FOR THE PREPARATION OF PURE APREMILAST | ZENTIVA KS (CZ) | 2019-10-16 | — | — | EP | disclosed |