⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13053377 | 0.73 | NOS1 (0.32) | — | |
| SCHEMBL14389726 | 0.73 | NOS1 (0.32) | — | |
| SCHEMBL166710 | 0.71 | NOS1 (0.38) | — | |
| SCHEMBL166711 | 0.71 | NOS1 (0.38) | — | |
| SCHEMBL17489170 | 0.71 | NOS1 (0.38) | — | |
| SCHEMBL23918261 | 0.70 | — | — | |
| SCHEMBL21150794 | 0.69 | — | — | |
| SCHEMBL10289471 | 0.67 | — | — | |
| SCHEMBL23960910 | 0.67 | — | — | |
| SCHEMBL22428734 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020227421-A1 | MODIFIED CYCLIC DINUCLEOSIDE COMPOUNDS AS STING MODULATORS | ALIGOS THERAPEUTICS, INC. (US) | 2020-11-12 | — | — | WO | disclosed |