⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23054726 | 0.91 | — | — | |
| SCHEMBL23054722 | 0.84 | TMPRSS2 (0.38) | — | |
| SCHEMBL23054724 | 0.84 | — | — | |
| SCHEMBL23054727 | 0.79 | — | — | |
| SCHEMBL22372336 | 0.79 | TMPRSS2 (0.40) | — | |
| SCHEMBL20834797 | 0.79 | TMPRSS2 (0.40) | — | |
| SCHEMBL23054753 | 0.72 | BTN3A1 (0.41) | — | |
| SCHEMBL23054692 | 0.72 | POLRMT (0.32) | — | |
| SCHEMBL29323884 | 0.72 | POLRMT (0.32) | — | |
| SCHEMBL29323088 | 0.72 | POLRMT (0.32) | — |
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-20210060051-A1 | COMBINED MODALITIES FOR NUCLEOSIDES AND/OR NADPH OXIDASE (NOX) INHIBITORS AS MYELOID-SPECIFIC ANTIVIRAL AGENTS | EMORY UNIVERSITY | 2021-03-04 | — | — | US | disclosed |