⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13876916 | 0.89 | CYP3A4 (0.38) | — | |
| SCHEMBL14026513 | 0.89 | CYP3A4 (0.38) | — | |
| SCHEMBL14366860 | 0.87 | CPT2 (0.36) | — | |
| SCHEMBL20095980 | 0.79 | BCHE (0.36) | — | |
| SCHEMBL20095979 | 0.79 | BCHE (0.36) | — | |
| SCHEMBL25177048 | 0.78 | — | — | |
| SCHEMBL2097443 | 0.78 | — | — | |
| SCHEMBL1905642 | 0.78 | — | — | |
| SCHEMBL23195784 | 0.78 | — | — | |
| SCHEMBL16770016 | 0.78 | CNR2 (0.34) | — |
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 |