⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20622649 | 1.00 | — | — | |
| SCHEMBL25467342 | 0.77 | — | — | |
| SCHEMBL24267727 | 0.76 | — | — | |
| SCHEMBL21961608 | 0.74 | — | — | |
| SCHEMBL5394486 | 0.74 | — | — | |
| SCHEMBL21961800 | 0.74 | — | — | |
| SCHEMBL21947336 | 0.70 | — | — | |
| SCHEMBL2486690 | 0.70 | — | — | |
| SCHEMBL21374371 | 0.70 | — | — | |
| SCHEMBL23517921 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11731944-B2 | SARS-CoV-2 inhibitors for treating coronavirus infections | INSILICO MEDICINE IP LIMITED (HK) | 2023-08-22 | — | — | US | disclosed |
| US-20230192624-A1 | SARS-COV-2 INHIBITORS FOR TREATING CORONAVIRUS INFECTIONS | INSILICO MEDICINE IP LIMITED (HK) | 2023-06-22 | — | — | US | disclosed |