⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23905761 | 0.91 | — | — | |
| SCHEMBL24987405 | 0.90 | CFTR (0.30) | — | |
| SCHEMBL24984826 | 0.90 | CFTR (0.30) | — | |
| SCHEMBL23905290 | 0.90 | CFTR (0.30) | — | |
| SCHEMBL23905268 | 0.89 | AR (0.34) | — | |
| SCHEMBL23905489 | 0.87 | GABRA5 (0.33) | — | |
| SCHEMBL23905266 | 0.86 | GABRA5 (0.31) | — | |
| SCHEMBL23905814 | 0.85 | NR1H4 (0.30) | — | |
| SCHEMBL25116510 | 0.84 | CFTR (0.31) | — | |
| SCHEMBL25116487 | 0.84 | CFTR (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 |
|---|---|---|---|---|---|---|---|
| WO-2021198981-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Janssen Biopharma, Inc. (US) | 2021-10-07 | — | — | WO | disclosed |