⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14664291 | 1.00 | — | — | |
| SCHEMBL13389793 | 0.85 | — | — | |
| SCHEMBL14140654 | 0.85 | — | — | |
| SCHEMBL14664300 | 0.81 | — | — | |
| SCHEMBL14664294 | 0.81 | — | — | |
| SCHEMBL17732553 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL14664293 | 0.74 | — | — | |
| SCHEMBL13169197 | 0.74 | TK1 (0.43) | — | |
| SCHEMBL14664295 | 0.70 | — | — | |
| SCHEMBL14664298 | 0.70 | — | — |
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 |