⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1158790 | 0.85 | — | — | |
| SCHEMBL7169364 | 0.76 | — | — | |
| SCHEMBL11516997 | 0.76 | — | — | |
| SCHEMBL14571190 | 0.76 | DNM1 (0.45) | — | |
| SCHEMBL3099299 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL11030873 | 0.75 | TSHR (0.46) | — | |
| SCHEMBL1030988 | 0.74 | — | — | |
| SCHEMBL231093 | 0.73 | — | — | |
| SCHEMBL8064691 | 0.73 | — | — | |
| SCHEMBL11179900 | 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 |
|---|---|---|---|---|---|---|---|
| EP-3638675-A1 | DIAZABICYCLIC SUBSTITUTED IMIDAZOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF BREATHING DISORDERS | Bayer AG (DE) | 2020-04-22 | — | — | EP | disclosed |