⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14664298 | 1.00 | — | — | |
| SCHEMBL14664294 | 0.89 | — | — | |
| SCHEMBL14664300 | 0.89 | — | — | |
| SCHEMBL14140651 | 0.81 | MAPT (0.30) | — | |
| SCHEMBL14140650 | 0.81 | MAPT (0.30) | — | |
| SCHEMBL14664293 | 0.80 | — | — | |
| SCHEMBL13389891 | 0.73 | LMNA (0.51) | — | |
| SCHEMBL13389830 | 0.73 | LMNA (0.51) | — | |
| SCHEMBL3300626 | 0.73 | LMNA (0.51) | — | |
| SCHEMBL13389961 | 0.71 | SLC28A1 (0.44) | — |
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-8361988-B2 | Nucleoside and nucleotide analogues with quaternary carbon centers and methods of use | INSTITUT DE RECHERCHES CLINIQUES DE MONTREAL (CA) | 2013-01-29 | — | — | US | disclosed |