⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL725951 | 1.00 | — | — | |
| SCHEMBL725954 | 1.00 | — | — | |
| SCHEMBL727433 | 0.90 | — | — | |
| SCHEMBL2275111 | 0.90 | — | — | |
| SCHEMBL727327 | 0.89 | — | — | |
| SCHEMBL727330 | 0.89 | — | — | |
| SCHEMBL725560 | 0.88 | TRPM8 (0.40) | — | |
| SCHEMBL725563 | 0.88 | TRPM8 (0.40) | — | |
| SCHEMBL1381968 | 0.88 | — | — | |
| SCHEMBL725801 | 0.88 | — | — |
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 |