⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19457266 | 0.65 | — | — | |
| SCHEMBL21829068 | 0.61 | — | — | |
| SCHEMBL14327682 | 0.61 | TRPA1 (0.31) | — | |
| SCHEMBL12965565 | 0.61 | — | — | |
| SCHEMBL14196622 | 0.61 | — | — | |
| SCHEMBL8248396 | 0.61 | — | — | |
| SCHEMBL13050765 | 0.60 | TRPA1 (0.31) | — | |
| SCHEMBL14980968 | 0.57 | — | — | |
| SCHEMBL24233751 | 0.56 | — | — | |
| SCHEMBL13666887 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3668871-B1 | 6-AMINO-7,9-DIHYDRO-8H-PURIN-8-ONE DERIVATIVES AS IMMUNOSTIMULANT TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2021-08-04 | — | — | EP | disclosed |