⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2237572 | 0.72 | MAPK9 (0.38) | — | |
| SCHEMBL13323082 | 0.69 | KMT2A (0.39) | — | |
| SCHEMBL10636484 | 0.67 | L3MBTL1 (0.44) | — | |
| SCHEMBL7653054 | 0.67 | KMT2A (0.43) | — | |
| SCHEMBL8737974 | 0.65 | KDM4E (0.38) | — | |
| SCHEMBL1535168 | 0.65 | — | — | |
| SCHEMBL28988156 | 0.62 | MEN1 (0.35) | — | |
| SCHEMBL28988127 | 0.62 | MEN1 (0.35) | — | |
| SCHEMBL20969949 | 0.62 | MEN1 (0.33) | — | |
| SCHEMBL9908382 | 0.61 | CA12 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011101640-A1 | FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA | MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) | 2011-08-25 | — | — | WO | disclosed |
| WO-2011101640-A1 | FUSED HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF MALARIA | MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) | 2011-08-25 | — | — | WO | disclosed |