⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27054784 | 0.89 | RIPK1 (0.30) | — | |
| SCHEMBL25012634 | 0.87 | — | — | |
| SCHEMBL21283626 | 0.81 | — | — | |
| SCHEMBL24414215 | 0.78 | — | — | |
| SCHEMBL23844005 | 0.77 | RIPK1 (0.31) | — | |
| SCHEMBL26327372 | 0.73 | TMPRSS2 (0.31) | — | |
| SCHEMBL20878404 | 0.71 | TMPRSS2 (0.32) | — | |
| SCHEMBL23844001 | 0.71 | POLRMT (0.40) | — | |
| SCHEMBL18636437 | 0.71 | TMPRSS2 (0.43) | — | |
| SCHEMBL23813356 | 0.71 | BTN3A1 (0.31) | — |
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-11701372-B2 | Inhalation formulations of 1'-cyano substituted carba-nucleoside analogs | GILEAD SCIENCES, INC. (US) | 2023-07-18 | — | — | US | disclosed |