⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25057543 | 0.79 | HTT (0.33) | — | |
| SCHEMBL18526401 | 0.77 | — | — | |
| SCHEMBL18526510 | 0.77 | CYP1A2 (0.31) | — | |
| SCHEMBL8856366 | 0.71 | CHEK1 (0.38) | — | |
| SCHEMBL19969062 | 0.70 | ADORA2B (0.33) | — | |
| SCHEMBL18526526 | 0.70 | — | — | |
| SCHEMBL5064766 | 0.68 | TP53 (0.43) | — | |
| SCHEMBL24124442 | 0.68 | — | — | |
| SCHEMBL18526511 | 0.67 | NUDT1 (0.36) | — | |
| SCHEMBL25057484 | 0.66 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3728283-B1 | 3'3' CYCLIC DINUCLEOTIDES WITH PHOSPHONATE BOND ACTIVATING THE STING ADAPTOR PROTEIN | INST OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR V V I (CZ) | 2023-11-22 | — | — | EP | disclosed |
| EP-3621624-B1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME LLC (US) | 2023-08-30 | — | — | EP | disclosed |
| WO-2017027646-A1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-02-16 | — | — | WO | disclosed |