⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31187940 | 0.90 | ACE2 (0.45) | — | |
| SCHEMBL17287342 | 0.90 | ACE2 (0.45) | — | |
| SCHEMBL3112621 | 0.83 | — | — | |
| SCHEMBL25199118 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL10542838 | 0.77 | — | — | |
| SCHEMBL11463913 | 0.77 | LMNA (0.62) | — | |
| SCHEMBL10540976 | 0.77 | — | — | |
| SCHEMBL10545418 | 0.77 | — | — | |
| SCHEMBL11455553 | 0.77 | LMNA (0.62) | — | |
| SCHEMBL56652 | 0.76 | LMNA (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4902811-A | ANTIULCER AGENTS | SHIONOGI & CO., LTD. (JP) | 1990-02-20 | — | — | US | disclosed |