⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26041088 | 0.94 | NAMPT (0.32) | — | |
| SCHEMBL26040940 | 0.92 | — | — | |
| SCHEMBL26040979 | 0.90 | — | — | |
| SCHEMBL26040970 | 0.88 | MEN1 (0.33) | — | |
| SCHEMBL26040972 | 0.87 | — | — | |
| SCHEMBL26040931 | 0.86 | NPY5R (0.31) | — | |
| SCHEMBL26041035 | 0.86 | — | — | |
| SCHEMBL26041164 | 0.85 | — | — | |
| SCHEMBL26040974 | 0.85 | — | — | |
| SCHEMBL26041033 | 0.85 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023154344-A1 | 2-METHYL-4',5'-DIHYDROSPIRO[PIPERIDINE-4,7'-THIENO[2,3-C]PYRAN] DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2023-08-17 | — | — | WO | disclosed |