⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26108721 | 0.94 | KCNH2 (0.33) | — | |
| SCHEMBL26109064 | 0.92 | FLT3 (0.34) | — | |
| SCHEMBL26108662 | 0.92 | FLT3 (0.34) | — | |
| SCHEMBL26107996 | 0.90 | ITK (0.35) | — | |
| SCHEMBL26109498 | 0.87 | FGFR1 (0.31) | — | |
| SCHEMBL30582574 | 0.86 | ITK (0.40) | — | |
| SCHEMBL26106008 | 0.85 | ITK (0.35) | — | |
| SCHEMBL26109846 | 0.84 | KCNH2 (0.36) | — | |
| SCHEMBL26108120 | 0.83 | LRRK2 (0.32) | — | |
| SCHEMBL26108781 | 0.83 | BTK (0.35) | — |
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-2023192502-A1 | SPIROBICYCLIC COMPOUNDS | ACERAND THERAPEUTICS (USA) LIMITED (US) | 2023-10-05 | — | — | WO | disclosed |