⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23718561 | 0.84 | F2 (0.31) | — | |
| SCHEMBL23704483 | 0.81 | — | — | |
| SCHEMBL23704338 | 0.81 | — | — | |
| SCHEMBL23704384 | 0.74 | SLC29A1 (0.42) | — | |
| SCHEMBL23703377 | 0.71 | — | — | |
| SCHEMBL23704505 | 0.70 | — | — | |
| SCHEMBL25144054 | 0.70 | LMNA (0.36) | — | |
| SCHEMBL23703901 | 0.67 | PTK2 (0.33) | — | |
| SCHEMBL23711611 | 0.66 | F2 (0.31) | — | |
| SCHEMBL23711797 | 0.66 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4097104-A1 | 1H-PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | Bristol-Myers Squibb Company (US) | 2022-12-07 | — | — | EP | disclosed |
| WO-2021154663-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 |