⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19489658 | 0.85 | KMT5B (0.31) | — | |
| SCHEMBL19489651 | 0.81 | — | — | |
| SCHEMBL13190207 | 0.80 | LRRK2 (0.43) | — | |
| SCHEMBL19489653 | 0.78 | P2RY12 (0.31) | — | |
| SCHEMBL23716144 | 0.76 | KDM4E (0.38) | — | |
| SCHEMBL19479275 | 0.75 | KMT5B (0.34) | — | |
| SCHEMBL23316958 | 0.75 | — | — | |
| SCHEMBL21217852 | 0.73 | HDAC3 (0.30) | — | |
| SCHEMBL21217720 | 0.73 | HDAC3 (0.31) | — | |
| SCHEMBL19489655 | 0.72 | P2RY12 (0.31) | — |
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-3442945-B1 | TETRAHYDROISOQUINOLINE DERIVATIVES | UCB Biopharma SRL (BE) | 2020-07-08 | — | — | EP | disclosed |
| WO-2017178377-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | UCB BIOPHARMA SPRL (BE) | 2017-10-19 | — | — | WO | disclosed |