⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28158768 | 0.92 | — | — | |
| SCHEMBL6740341 | 0.87 | TSHR (0.36) | — | |
| SCHEMBL10521955 | 0.84 | ADH1B (0.39) | — | |
| SCHEMBL9514528 | 0.81 | — | — | |
| SCHEMBL28617279 | 0.81 | TSHR (0.36) | — | |
| SCHEMBL812730 | 0.79 | LMNA (0.46) | — | |
| SCHEMBL11764634 | 0.77 | LMNA (0.43) | — | |
| SCHEMBL1786679 | 0.77 | LMNA (0.43) | — | |
| SCHEMBL277790 | 0.77 | — | — | |
| SCHEMBL8080117 | 0.77 | — | — |
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-2970334-B1 | MACROCYCLIC COMPOUNDS AS IRAK4 INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES | BIOGEN MA INC (US) | 2018-05-23 | — | — | EP | disclosed |