⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21362231 | 0.81 | CDK1 (0.36) | — | |
| SCHEMBL21871805 | 0.78 | CDK1 (0.42) | — | |
| SCHEMBL21372042 | 0.78 | PI4KA (0.37) | — | |
| SCHEMBL30089497 | 0.70 | — | — | |
| SCHEMBL21137628 | 0.65 | HPRT1 (0.49) | — | |
| SCHEMBL20908767 | 0.65 | ALDH1A1 (0.59) | — | |
| SCHEMBL21758938 | 0.65 | XDH (0.36) | — | |
| SCHEMBL22326671 | 0.65 | HPGD (0.43) | — | |
| SCHEMBL1576524 | 0.61 | ALDH1A1 (0.41) | — | |
| SCHEMBL7016511 | 0.60 | KDM5B (0.44) | — |
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-20220033435-A1 | Cyclic Di-Nucleotide Compounds as STING Agonists | MERCK SHARP & DOHME CORP. (US) | 2022-02-03 | — | — | US | disclosed |