⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19190010 | 0.86 | TRPA1 (0.32) | — | |
| SCHEMBL28341443 | 0.86 | TRPA1 (0.32) | — | |
| SCHEMBL25188572 | 0.79 | — | — | |
| SCHEMBL6277605 | 0.79 | — | — | |
| SCHEMBL2229642 | 0.79 | PDCD1 (0.33) | — | |
| SCHEMBL30787611 | 0.75 | LTA4H (0.32) | — | |
| SCHEMBL16901704 | 0.74 | ALOX15 (0.34) | — | |
| SCHEMBL16901705 | 0.74 | ALOX15 (0.34) | — | |
| SCHEMBL19190242 | 0.74 | ALOX15 (0.34) | — | |
| Hydrochloric Acid SCHEMBL20981808 | 0.73 | ALOX15 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024138206-A1 | FLUOROPYRIDOPYRIMIDINE AND FLUOROQUINAZOLINE DERIVATIES AND METHODS OF USE THEREOF | FRONTIER MEDICINES CORPORATION (US) | 2024-06-27 | — | — | WO | disclosed |