⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23703377 | 0.82 | — | — | |
| SCHEMBL23704338 | 0.76 | — | — | |
| SCHEMBL23704483 | 0.70 | — | — | |
| SCHEMBL23704429 | 0.70 | — | — | |
| SCHEMBL23703901 | 0.61 | PTK2 (0.33) | — | |
| SCHEMBL23711611 | 0.61 | F2 (0.31) | — | |
| SCHEMBL25144054 | 0.58 | LMNA (0.36) | — | |
| SCHEMBL1677779 | 0.56 | CYP1A2 (0.43) | — | |
| SCHEMBL3867453 | 0.55 | MAPT (0.62) | — | |
| SCHEMBL18340747 | 0.54 | S1PR2 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230144824-A1 | 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS | BRISTOL-MYERS SQUIBB COMPANY | 2023-05-11 | — | — | US | disclosed |
| EP-4097108-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-2021154669-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 |