⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5042080 | 0.80 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL3524445 | 0.76 | CA1 (0.30) | — | |
| SCHEMBL5046429 | 0.73 | CDC14B (0.32) | — | |
| SCHEMBL3524443 | 0.70 | — | — | |
| SCHEMBL3519676 | 0.68 | HTT (0.37) | — | |
| SCHEMBL9576647 | 0.68 | MAOA (0.52) | — | |
| SCHEMBL3520221 | 0.67 | HTT (0.37) | — | |
| SCHEMBL5110944 | 0.67 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL3520658 | 0.66 | BCAT1 (0.36) | — | |
| SCHEMBL25185698 | 0.66 | AHR (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 |
|---|---|---|---|---|---|---|---|
| EP-1481973-B1 | HETEROCYCLE-BEARING ONIUM SALTS | WAKO PURE CHEM IND LTD (JP) | 2008-12-31 | — | — | EP | disclosed |