⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27244983 | 1.00 | — | — | |
| SCHEMBL30890472 | 0.90 | CTSD (0.31) | — | |
| SCHEMBL30890518 | 0.89 | CNR2 (0.31) | — | |
| SCHEMBL27245090 | 0.89 | — | — | |
| SCHEMBL27245087 | 0.89 | — | — | |
| SCHEMBL27245122 | 0.87 | CNR2 (0.32) | — | |
| SCHEMBL27245146 | 0.87 | CNR2 (0.32) | — | |
| SCHEMBL30992232 | 0.84 | CNR2 (0.31) | — | |
| SCHEMBL27245132 | 0.84 | — | — | |
| SCHEMBL27245128 | 0.84 | — | — |
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-20240199647-A1 | ANTI-VIRAL COMPOUNDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2024-06-20 | — | — | US | disclosed |