⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13540983 | 1.00 | — | — | |
| SCHEMBL13247466 | 0.82 | — | — | |
| SCHEMBL25813847 | 0.82 | — | — | |
| SCHEMBL108436 | 0.76 | — | — | |
| SCHEMBL10136441 | 0.75 | — | — | |
| SCHEMBL171723 | 0.74 | — | — | |
| SCHEMBL14516920 | 0.74 | — | — | |
| SCHEMBL8159105 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL16810248 | 0.74 | — | — | |
| SCHEMBL20152093 | 0.73 | — | — |
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 |