⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30598229 | 1.00 | — | — | |
| SCHEMBL11360483 | 0.86 | — | — | |
| SCHEMBL10821414 | 0.76 | — | — | |
| SCHEMBL5494010 | 0.73 | — | — | |
| SCHEMBL8648051 | 0.73 | — | — | |
| SCHEMBL2217530 | 0.71 | LMNA (0.39) | — | |
| SCHEMBL14140476 | 0.69 | — | — | |
| SCHEMBL11809519 | 0.69 | — | — | |
| SCHEMBL20599745 | 0.68 | TSHR (0.39) | — | |
| SCHEMBL21557542 | 0.67 | — | — |
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-20230277575-A1 | Nucleoside Analogues to Inhibit the Main Protease of a Coronavirus | Institut de Recherche en Semiochimie et Ethologie Appliquee (FR) | 2023-09-07 | — | — | US | disclosed |