⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8276856 | 1.00 | — | — | |
| SCHEMBL24754878 | 0.93 | CTSS (0.39) | — | |
| SCHEMBL24710112 | 0.89 | CTSL (0.44) | — | |
| SCHEMBL29179605 | 0.89 | CTSL (0.44) | — | |
| SCHEMBL24755492 | 0.89 | CTSL (0.44) | — | |
| SCHEMBL23824539 | 0.88 | CTSL (0.41) | — | |
| SCHEMBL30248405 | 0.88 | — | — | |
| SCHEMBL8278850 | 0.88 | CTSL (0.41) | — | |
| SCHEMBL24190098 | 0.88 | — | — | |
| SCHEMBL23824538 | 0.88 | CTSL (0.41) | — |
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-2022261473-A1 | PROTEASE INHIBITORS FOR THE TREATMENT OF CORONAVIRUS INFECTIONS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2022-12-15 | — | — | WO | disclosed |
| WO-2005113580-A1 | ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES AND MATERIALS FOR THEIR SYNTHESIS | PFIZER INC. (US) | 2005-12-01 | — | — | WO | disclosed |