⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3994069 | 1.00 | — | — | |
| SCHEMBL21883699 | 1.00 | — | — | |
| SCHEMBL4310329 | 1.00 | — | — | |
| SCHEMBL16189795 | 1.00 | — | — | |
| SCHEMBL7357222 | 1.00 | — | — | |
| SCHEMBL18937993 | 1.00 | — | — | |
| SCHEMBL3293309 | 1.00 | — | — | |
| SCHEMBL18937990 | 1.00 | — | — | |
| SCHEMBL10282829 | 0.84 | CA1 (0.40) | — | |
| SCHEMBL21883847 | 0.79 | SAE1 (0.31) | — |
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-10610539-B2 | Cardiac glycoside analogs and their use in methods for inhibition of viral infection | THE JOHN HOPKINS UNIVERSITY (US) | 2020-04-07 | — | — | US | disclosed |