⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23905661 | 0.83 | LMNA (0.33) | — | |
| SCHEMBL24363611 | 0.82 | POLB (0.38) | — | |
| SCHEMBL24345454 | 0.82 | POLB (0.38) | — | |
| SCHEMBL23904817 | 0.81 | LRRK2 (0.34) | — | |
| SCHEMBL23905469 | 0.80 | CXCR6 (0.32) | — | |
| SCHEMBL24363581 | 0.78 | SLC5A7 (0.38) | — | |
| SCHEMBL23905666 | 0.77 | ROCK2 (0.33) | — | |
| SCHEMBL23905651 | 0.77 | ROCK2 (0.33) | — | |
| SCHEMBL23905459 | 0.77 | POLB (0.36) | — | |
| SCHEMBL23905464 | 0.76 | ROCK2 (0.33) | — |
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 |