⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24907322 | 0.73 | — | — | |
| SCHEMBL3916791 | 0.70 | GAA (0.42) | — | |
| SCHEMBL17072631 | 0.68 | — | — | |
| SCHEMBL736626 | 0.67 | — | — | |
| SCHEMBL27392485 | 0.64 | — | — | |
| SCHEMBL25452051 | 0.64 | — | — | |
| SCHEMBL18819708 | 0.64 | — | — | |
| SCHEMBL19245926 | 0.64 | — | — | |
| Trifluoroacetic Acid SCHEMBL31392233 | 0.61 | HCAR2 (0.30) | — | |
| SCHEMBL28134435 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3193855-B1 | BICYCLIC COMPOUNDS | RECURIUM IP HOLDINGS LLC (US) | 2021-05-19 | — | — | EP | disclosed |