⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16938902 | 0.92 | HDAC4 (0.32) | — | |
| SCHEMBL13340505 | 0.81 | FAP (0.33) | — | |
| SCHEMBL16639055 | 0.81 | L3MBTL1 (0.36) | — | |
| SCHEMBL16938974 | 0.81 | FAP (0.34) | — | |
| SCHEMBL16938907 | 0.79 | FAP (0.32) | — | |
| SCHEMBL16938890 | 0.79 | FAP (0.32) | — | |
| SCHEMBL11975940 | 0.78 | HDAC4 (0.33) | — | |
| SCHEMBL8249373 | 0.77 | DPP4 (0.37) | — | |
| SCHEMBL16938889 | 0.75 | CTSB (0.40) | — | |
| SCHEMBL13340502 | 0.75 | FAP (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2374812-B1 | 4-amino-4-oxobutanoyl Peptides as Inhibitors of Viral Replication | ACHILLION PHARMACEUTICALS INC (US) | 2015-04-15 | — | — | EP | disclosed |