⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26316115 | 0.82 | — | — | |
| SCHEMBL26315543 | 0.71 | LAP3 (0.33) | — | |
| SCHEMBL26316292 | 0.71 | HMGCR (0.36) | — | |
| SCHEMBL20118684 | 0.69 | TDP1 (0.39) | — | |
| SCHEMBL16369341 | 0.63 | NPSR1 (0.42) | — | |
| SCHEMBL29285237 | 0.61 | — | — | |
| SCHEMBL11907935 | 0.60 | CYP3A4 (0.34) | — | |
| SCHEMBL304 | 0.60 | — | — | |
| Water SCHEMBL16146551 | 0.60 | — | — | |
| SCHEMBL14189792 | 0.60 | CTSA (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 |
|---|---|---|---|---|---|---|---|
| US-20230293701-A1 | LIGAND COMPOUNDS, CONJUGATES, AND APPLICATIONS THEREOF | ARGORNA PHARMACEUTICALS CO., LTD. (CN) | 2023-09-21 | — | — | US | disclosed |