⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18520389 | 0.77 | ADORA2A (0.43) | — | |
| SCHEMBL13850513 | 0.72 | PI4KA (0.47) | — | |
| SCHEMBL18521130 | 0.72 | SMN1; SMN2 (0.47) | — | |
| SCHEMBL21942689 | 0.71 | ADORA2A (0.39) | — | |
| SCHEMBL24236873 | 0.70 | ADORA2A (0.37) | — | |
| SCHEMBL23619348 | 0.70 | — | — | |
| SCHEMBL24499272 | 0.67 | ADA (0.40) | — | |
| SCHEMBL9120 | 0.64 | ADORA2A (0.59) | — | |
| SCHEMBL21758963 | 0.64 | ADA (0.44) | — | |
| SCHEMBL24499765 | 0.63 | CDK1 (0.56) | — |
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-20220024964-A1 | Cyclic Di-Nucleotide Compounds as STING Agonists | MERCK SHARP & DOHME CORP. (US) | 2022-01-27 | — | — | US | disclosed |
| US-10738074-B2 | Cyclic di-nucleotide compounds as STING agonists | MERCK SHARP & DOHME CORP. (US) | 2020-08-11 | — | — | US | disclosed |