⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23905569 | 0.84 | PTGS1 (0.32) | — | |
| SCHEMBL23905773 | 0.79 | ADORA2A (0.32) | — | |
| SCHEMBL23905589 | 0.79 | — | — | |
| SCHEMBL23905634 | 0.79 | — | — | |
| SCHEMBL24984659 | 0.74 | — | — | |
| SCHEMBL18031468 | 0.72 | — | — | |
| SCHEMBL18031469 | 0.72 | — | — | |
| SCHEMBL18031368 | 0.72 | — | — | |
| SCHEMBL29716289 | 0.72 | RORC (0.37) | — | |
| SCHEMBL23905461 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021198981-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Janssen Biopharma, Inc. (US) | 2021-10-07 | — | — | WO | disclosed |