⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11114570 | 0.87 | CYP1A2 (0.41) | — | |
| SCHEMBL1397962 | 0.78 | — | — | |
| SCHEMBL13021351 | 0.76 | CYP1A2 (0.44) | — | |
| SCHEMBL7735125 | 0.76 | CYP1A2 (0.49) | — | |
| SCHEMBL2379725 | 0.76 | CYP1A2 (0.49) | — | |
| SCHEMBL14626815 | 0.76 | CYP2D6 (0.38) | — | |
| SCHEMBL19285086 | 0.73 | — | — | |
| SCHEMBL8344810 | 0.73 | — | — | |
| SCHEMBL260159 | 0.73 | — | — | |
| SCHEMBL744648 | 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 |
|---|---|---|---|---|---|---|---|
| WO-2021108254-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING MCL1 INHIBITORS | GILEAD SCIENCES, INC. (US) | 2021-06-03 | — | — | WO | disclosed |