⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20856964 | 0.84 | POLB (0.32) | — | |
| SCHEMBL20856976 | 0.84 | POLB (0.32) | — | |
| SCHEMBL7092674 | 0.82 | SUCNR1 (0.38) | — | |
| SCHEMBL25624937 | 0.79 | MAPK1 (0.33) | — | |
| SCHEMBL25624926 | 0.79 | MAPK1 (0.33) | — | |
| SCHEMBL22247538 | 0.79 | MAPK1 (0.33) | — | |
| SCHEMBL22247527 | 0.79 | MAPK1 (0.33) | — | |
| SCHEMBL20869776 | 0.76 | MAPK1 (0.30) | — | |
| SCHEMBL20869781 | 0.76 | MAPK1 (0.30) | — | |
| SCHEMBL25626115 | 0.76 | MAPK1 (0.30) | — |
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-11680042-B2 | Compounds, reagents, and uses thereof | METABOLON, INC. (US) | 2023-06-20 | — | — | US | disclosed |