⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25333420 | 1.00 | — | — | |
| SCHEMBL6403622 | 0.80 | ACACB (0.36) | — | |
| SCHEMBL25333047 | 0.76 | CCR1 (0.31) | — | |
| SCHEMBL25333050 | 0.76 | CCR1 (0.31) | — | |
| SCHEMBL4813012 | 0.76 | CTSS (0.38) | — | |
| SCHEMBL4813029 | 0.76 | CTSS (0.38) | — | |
| SCHEMBL6402824 | 0.76 | CTSS (0.38) | — | |
| SCHEMBL6605681 | 0.76 | CTSS (0.38) | — | |
| SCHEMBL6402816 | 0.76 | CTSS (0.38) | — | |
| SCHEMBL6605430 | 0.76 | CTSS (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024151465-A1 | PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION | MERCK SHARP & DOHME LLC (US) | 2024-07-18 | — | — | WO | disclosed |
| WO-2023133174-A1 | PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION | MERCK SHARP & DOHME LLC (US) | 2023-07-13 | — | — | WO | disclosed |