⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21870590 | 1.00 | — | — | |
| SCHEMBL24992207 | 1.00 | — | — | |
| SCHEMBL16260598 | 0.75 | — | — | |
| SCHEMBL25976665 | 0.73 | HTT (0.35) | — | |
| SCHEMBL24992205 | 0.73 | — | — | |
| SCHEMBL23714362 | 0.73 | — | — | |
| SCHEMBL22204444 | 0.72 | — | — | |
| SCHEMBL24458782 | 0.71 | CYP2D6 (0.31) | — | |
| SCHEMBL23714230 | 0.71 | GBA1 (0.30) | — | |
| SCHEMBL29946644 | 0.70 | BRD4 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021154668-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-05 | — | — | WO | disclosed |