⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31074849 | 0.90 | — | — | |
| SCHEMBL31074858 | 0.89 | — | — | |
| SCHEMBL31074847 | 0.89 | — | — | |
| SCHEMBL31074888 | 0.89 | — | — | |
| SCHEMBL31074840 | 0.89 | — | — | |
| SCHEMBL31074792 | 0.89 | — | — | |
| SCHEMBL31074844 | 0.88 | — | — | |
| SCHEMBL31074891 | 0.87 | MEN1 (0.30) | — | |
| SCHEMBL31074872 | 0.86 | — | — | |
| SCHEMBL31074878 | 0.83 | KDM4E (0.31) | — |
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-2024181466-A1 | COMPOUND, MAIT CELL ACTIVATOR, VACCINE ADJUVANT, AND PHARMACEUTICAL COMPOSITION | 国立大学法人京都大学 | 2024-09-06 | — | — | WO | disclosed |