⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20441263 | 0.81 | — | — | |
| SCHEMBL19509755 | 0.78 | — | — | |
| SCHEMBL19833144 | 0.78 | — | — | |
| SCHEMBL19833141 | 0.76 | DPP8 (0.33) | — | |
| SCHEMBL18650821 | 0.72 | — | — | |
| SCHEMBL4652956 | 0.72 | TSHR (0.30) | — | |
| SCHEMBL18650835 | 0.72 | — | — | |
| SCHEMBL18650820 | 0.72 | — | — | |
| SCHEMBL19901869 | 0.69 | TSHR (0.31) | — | |
| SCHEMBL17607495 | 0.69 | — | — |
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-3640251-B1 | 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2021-12-08 | — | — | EP | disclosed |
| WO-2018077630-A1 | 6,7,8,9-TETRAHYDRO-3H-PYRAZOLO[4,3-F]ISOQUINOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2018-05-03 | — | — | WO | disclosed |