⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25570886 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL23901191 | 0.85 | — | — | |
| SCHEMBL20621820 | 0.81 | ALDH1A1 (0.50) | — | |
| SCHEMBL23134305 | 0.78 | CA12 (0.32) | — | |
| SCHEMBL22096773 | 0.77 | — | — | |
| SCHEMBL19432943 | 0.74 | — | — | |
| SCHEMBL13970106 | 0.74 | ALDH1A1 (0.34) | — | |
| SCHEMBL713330 | 0.73 | MEN1 (0.35) | — | |
| SCHEMBL13970227 | 0.72 | — | — | |
| SCHEMBL13753225 | 0.72 | — | — |
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 4 patents. 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 |
| US-9775831-B2 | Combinations comprising biphenyl derivatives for use in the treatment of HCV | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-10-03 | — | — | US | disclosed |
| US-20110201665-A1 | Compositions, Methods, and Kits for Treating Influenza Viral Infections | COMBINATORX (SINGAPORE) PTE. LTD. (SG) | 2011-08-18 | — | — | US | disclosed |
| US-20110028510-A1 | Compositions, Methods, and Kits for Treating Influenza Viral Infections | COMBINATORX (SINGAPORE) PTE. LTD. (SG) | 2011-02-03 | — | — | US | disclosed |