⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6335541 | 1.00 | — | — | |
| SCHEMBL6337997 | 0.97 | — | — | |
| SCHEMBL6335326 | 0.96 | — | — | |
| SCHEMBL6335120 | 0.95 | — | — | |
| SCHEMBL14489611 | 0.95 | — | — | |
| SCHEMBL6340998 | 0.95 | — | — | |
| SCHEMBL6333271 | 0.92 | — | — | |
| SCHEMBL6335802 | 0.92 | — | — | |
| SCHEMBL6338023 | 0.92 | — | — | |
| SCHEMBL3719372 | 0.91 | HDAC1 (0.74) | — |
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-3681504-B1 | METHODS OF DETECTION USING X-RAY FLUORESCENCE | ICAGEN INC (US) | 2023-08-23 | — | — | EP | disclosed |