⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16949527 | 1.00 | — | — | |
| SCHEMBL15077808 | 0.80 | — | — | |
| SCHEMBL21241999 | 0.80 | — | — | |
| SCHEMBL13370186 | 0.78 | — | — | |
| SCHEMBL14733413 | 0.78 | — | — | |
| SCHEMBL1983631 | 0.78 | — | — | |
| SCHEMBL6317512 | 0.77 | — | — | |
| SCHEMBL14724819 | 0.76 | — | — | |
| SCHEMBL521977 | 0.74 | — | — | |
| SCHEMBL1246549 | 0.74 | CES2 (0.52) | — |
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-2016094509-A1 | BCL XL INHIBITORY COMPOUNDS HAVING LOW CELL PERMEABILITY AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME | ABBVIE INC. (US) | 2016-06-16 | — | — | WO | disclosed |