⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13584600 | 0.88 | KMT2A (0.40) | — | |
| SCHEMBL3594632 | 0.82 | — | — | |
| SCHEMBL28051348 | 0.78 | — | — | |
| SCHEMBL3793760 | 0.78 | — | — | |
| SCHEMBL27590844 | 0.78 | HTT (0.44) | — | |
| SCHEMBL28284139 | 0.75 | PDE4B (0.34) | — | |
| SCHEMBL28051378 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL27783066 | 0.75 | DUT (0.38) | — | |
| SCHEMBL22865979 | 0.74 | — | — | |
| SCHEMBL10868768 | 0.74 | APEX1 (0.44) | — |
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-20220009903-A1 | ANTI-VIRAL COMPOUNDS | KATHOLIEKE UNIVERSITEIT LEUVEN (BE) | 2022-01-13 | — | — | US | disclosed |