⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20096964 | 0.78 | LMNA (0.38) | — | |
| SCHEMBL17924933 | 0.78 | MGLL (0.32) | — | |
| SCHEMBL20204595 | 0.76 | BCHE (0.31) | — | |
| SCHEMBL19982356 | 0.73 | KMT2A (0.31) | — | |
| SCHEMBL18459795 | 0.72 | — | — | |
| SCHEMBL21727093 | 0.71 | TP53 (0.33) | — | |
| SCHEMBL27112440 | 0.70 | NPC1 (0.31) | — | |
| SCHEMBL8095583 | 0.69 | MGLL (0.37) | — | |
| SCHEMBL27332764 | 0.68 | ALDH1A1 (0.41) | — | |
| SCHEMBL5526514 | 0.68 | ALDH1A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170260184-A1 | TOLL-LIKE RECEPTOR-7 AND -8 MODULATORY 1H IMIDAZOQUINOLINE DERIVED COMPOUNDS | UNIV KANSAS (US) | 2017-09-14 | — | — | US | disclosed |