⚠ 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 | |
|---|---|---|---|---|
| Iodide SCHEMBL974273 | 0.96 | — | — | |
| SCHEMBL13766191 | 0.87 | — | — | |
| SCHEMBL13606985 | 0.84 | — | — | |
| SCHEMBL12801153 | 0.75 | — | — | |
| Iodide SCHEMBL6599684 | 0.70 | — | — | |
| SCHEMBL133732 | 0.68 | — | — | |
| SCHEMBL243638 | 0.68 | — | — | |
| SCHEMBL10959795 | 0.64 | — | — | |
| SCHEMBL10964189 | 0.64 | — | — | |
| SCHEMBL2734283 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150301044-A1 | Peptide MHCII Tetramers to Detect Endogenous Calnexin Specific CD4 T Cells | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-10-22 | — | — | US | disclosed |
| US-8466163-B2 | Furo[2,3-d]pyrimidines and related compounds and methods for treating disease states by inhibiting tubulin polymerization | BIONOMICS LIMITED (AU) | 2013-06-18 | — | — | US | disclosed |