⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5374788 | 0.84 | LTA4H (0.34) | — | |
| SCHEMBL19720763 | 0.79 | TRPA1 (0.33) | — | |
| SCHEMBL30787619 | 0.79 | TRPA1 (0.33) | — | |
| SCHEMBL13895149 | 0.78 | KCNQ3 (0.33) | — | |
| SCHEMBL4332116 | 0.74 | ATM (0.31) | — | |
| SCHEMBL22772885 | 0.73 | — | — | |
| SCHEMBL22198734 | 0.72 | — | — | |
| SCHEMBL16901710 | 0.72 | GABRR1 (0.33) | — | |
| SCHEMBL684218 | 0.70 | — | — | |
| SCHEMBL20711676 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-111819176-B | 4-azaindole compounds | 百时美施贵宝公司 | 2023-12-15 | — | — | CN | claimed |
| 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 |