⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22326772 | 0.70 | — | — | |
| SCHEMBL21942687 | 0.64 | ADORA2A (0.44) | — | |
| SCHEMBL21942689 | 0.59 | ADORA2A (0.39) | — | |
| SCHEMBL24499103 | 0.57 | AHCY (0.41) | — | |
| SCHEMBL24499073 | 0.55 | ALDH1A1 (0.39) | — | |
| SCHEMBL4953888 | 0.55 | — | — | |
| SCHEMBL5491638 | 0.55 | — | — | |
| SCHEMBL4912714 | 0.54 | — | — | |
| SCHEMBL30678354 | 0.52 | P2RX3 (0.31) | — | |
| SCHEMBL17714362 | 0.52 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11685761-B2 | Cyclic di-nucleotide compounds as sting agonists | MERCK SHARP & DOHME LLC (US) | 2023-06-27 | — | — | US | disclosed |
| US-20210206796-A1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2021-07-08 | — | — | US | disclosed |