⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17773081 | 1.00 | — | — | |
| SCHEMBL17773079 | 1.00 | — | — | |
| SCHEMBL17773087 | 1.00 | — | — | |
| SCHEMBL21883695 | 0.86 | SAE1 (0.31) | — | |
| SCHEMBL21884067 | 0.86 | SAE1 (0.31) | — | |
| SCHEMBL21883847 | 0.86 | SAE1 (0.31) | — | |
| SCHEMBL21883707 | 0.86 | SAE1 (0.31) | — | |
| SCHEMBL13181985 | 0.86 | SAE1 (0.31) | — | |
| SCHEMBL23962068 | 0.79 | — | — | |
| SCHEMBL21312754 | 0.79 | — | — |
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-20160143934-A1 | CARDIAC GLYCOSIDE ANALOGS AND THEIR USE IN METHODS FOR INHIBITION OF VIRAL INFECTION | THE JOHNS HOPKINS UNIVERSITY | 2016-05-26 | — | — | US | disclosed |