⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23704483 | 0.79 | — | — | |
| SCHEMBL23711797 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL24121748 | 0.77 | — | — | |
| SCHEMBL26414462 | 0.63 | HTT (0.36) | — | |
| SCHEMBL24121975 | 0.63 | PDPK1 (0.31) | — | |
| SCHEMBL25144054 | 0.60 | LMNA (0.36) | — | |
| SCHEMBL377763 | 0.60 | CDK2 (0.48) | — | |
| SCHEMBL23711611 | 0.60 | F2 (0.31) | — | |
| SCHEMBL23718561 | 0.60 | F2 (0.31) | — | |
| SCHEMBL23704429 | 0.59 | — | — |
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-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 |