⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25008287 | 0.63 | AADAT (0.30) | — | |
| SCHEMBL19933159 | 0.60 | — | — | |
| SCHEMBL20416058 | 0.59 | — | — | |
| SCHEMBL17678380 | 0.59 | ADORA2A (0.31) | — | |
| SCHEMBL19322526 | 0.58 | — | — | |
| SCHEMBL24683711 | 0.58 | — | — | |
| SCHEMBL24276515 | 0.57 | — | — | |
| SCHEMBL21913206 | 0.57 | — | — | |
| SCHEMBL15142233 | 0.57 | MEN1 (0.31) | — | |
| SCHEMBL19006930 | 0.57 | — | — |
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-10738074-B2 | Cyclic di-nucleotide compounds as STING agonists | MERCK SHARP & DOHME CORP. (US) | 2020-08-11 | — | — | US | disclosed |