⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2089866 | 1.00 | — | — | |
| SCHEMBL31029450 | 1.00 | — | — | |
| SCHEMBL2089060 | 0.84 | — | — | |
| SCHEMBL1299627 | 0.84 | — | — | |
| SCHEMBL327784 | 0.84 | — | — | |
| Iodide SCHEMBL38651116 | 0.82 | — | — | |
| SCHEMBL14087966 | 0.82 | — | — | |
| SCHEMBL12018255 | 0.82 | — | — | |
| SCHEMBL88583 | 0.82 | — | — | |
| SCHEMBL18967338 | 0.80 | CHRM1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230219906-A1 | MACROCYCLIC-2-AMINO-3-FLUORO-BUT-3-ENAMIDES AS INHIBITORS OF MCL-1 | JANSSEN PHARMACEUTICA NV (BE) | 2023-07-13 | — | — | US | disclosed |