⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22577499 | 0.73 | MAPT (0.51) | — | |
| SCHEMBL22083019 | 0.66 | CCNE1 (0.31) | — | |
| SCHEMBL24487759 | 0.65 | — | — | |
| SCHEMBL22072387 | 0.61 | L3MBTL1 (0.34) | — | |
| SCHEMBL22071866 | 0.59 | L3MBTL1 (0.33) | — | |
| SCHEMBL22079611 | 0.57 | L3MBTL1 (0.32) | — | |
| SCHEMBL22071857 | 0.57 | L3MBTL1 (0.32) | — | |
| SCHEMBL22072412 | 0.57 | L3MBTL1 (0.32) | — | |
| SCHEMBL22083748 | 0.56 | HTR6 (0.30) | — | |
| SCHEMBL24487786 | 0.55 | — | — |
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-20210206796-A1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2021-07-08 | — | — | US | disclosed |