⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26105475 | 0.89 | LRRK2 (0.32) | — | |
| SCHEMBL26108287 | 0.84 | ITK (0.33) | — | |
| SCHEMBL30582529 | 0.82 | NUDT14 (0.34) | — | |
| SCHEMBL26108735 | 0.82 | RET (0.31) | — | |
| SCHEMBL26107398 | 0.81 | — | — | |
| SCHEMBL26109831 | 0.80 | CYP3A4 (0.33) | — | |
| SCHEMBL26106100 | 0.79 | — | — | |
| SCHEMBL26107963 | 0.79 | LRRK2 (0.34) | — | |
| SCHEMBL26108491 | 0.79 | — | — | |
| SCHEMBL26104690 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023192502-A1 | SPIROBICYCLIC COMPOUNDS | ACERAND THERAPEUTICS (USA) LIMITED (US) | 2023-10-05 | — | — | WO | claimed |
| WO-2023192502-A1 | SPIROBICYCLIC COMPOUNDS | ACERAND THERAPEUTICS (USA) LIMITED (US) | 2023-10-05 | — | — | WO | disclosed |