⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25431739 | 0.89 | TRPV4 (0.31) | — | |
| SCHEMBL25433771 | 0.87 | GSK3B (0.33) | — | |
| SCHEMBL26052638 | 0.86 | TYK2 (0.31) | — | |
| SCHEMBL31594881 | 0.86 | FASN (0.33) | — | |
| SCHEMBL26052636 | 0.86 | TYK2 (0.31) | — | |
| SCHEMBL26052689 | 0.85 | — | — | |
| SCHEMBL31594927 | 0.85 | GRM4 (0.32) | — | |
| SCHEMBL26052742 | 0.85 | — | — | |
| SCHEMBL26053105 | 0.85 | CNR2 (0.32) | — | |
| SCHEMBL26051432 | 0.85 | LPAR1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023164536-A1 | PYRAZOLYL COMPOUNDS AS KV7 CHANNEL ACTIVATORS | BIOHAVEN THERAPEUTICS LTD. (US) | 2023-08-31 | — | — | WO | disclosed |