⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12812814 | 0.86 | EPHX1 (0.35) | — | |
| SCHEMBL13201842 | 0.86 | EPHX1 (0.35) | — | |
| SCHEMBL13201841 | 0.86 | EPHX1 (0.35) | — | |
| SCHEMBL3148957 | 0.85 | — | — | |
| SCHEMBL13994588 | 0.82 | — | — | |
| SCHEMBL13201321 | 0.82 | — | — | |
| SCHEMBL14113627 | 0.82 | — | — | |
| SCHEMBL13994593 | 0.82 | — | — | |
| SCHEMBL13201672 | 0.82 | — | — | |
| SCHEMBL3148951 | 0.80 | — | — |
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-11760736-B2 | Processes and intermediates for preparing MCL1 inhibitors | GILEAD SCIENCES, INC. (US) | 2023-09-19 | — | — | US | disclosed |