⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5849578 | 0.70 | — | — | |
| SCHEMBL2960541 | 0.70 | — | — | |
| SCHEMBL11039602 | 0.67 | — | — | |
| SCHEMBL1313600 | 0.67 | — | — | |
| SCHEMBL571392 | 0.65 | — | — | |
| SCHEMBL28906919 | 0.63 | LMNA (0.50) | — | |
| SCHEMBL999623 | 0.61 | — | — | |
| SCHEMBL21729585 | 0.61 | — | — | |
| SCHEMBL4475934 | 0.60 | LMNA (0.62) | — | |
| SCHEMBL52275 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112540078-B | Method for rapid and accurate colorimetric detection of heavy metal ions | 江南大学 | 2022-05-06 | — | — | CN | disclosed |
| EP-0764685-A2 | Polymer solutions | COURTAULDS FIBRES (HOLDINGS) LIMITED (GB) | 1997-03-26 | — | — | EP | disclosed |