⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26147071 | 0.87 | CYP1A2 (0.31) | — | |
| SCHEMBL25713175 | 0.87 | CYP1A2 (0.31) | — | |
| SCHEMBL25719714 | 0.80 | CYP1A2 (0.32) | — | |
| SCHEMBL25711315 | 0.80 | CYP1A2 (0.32) | — | |
| SCHEMBL20059100 | 0.77 | — | — | |
| SCHEMBL24371576 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL25723722 | 0.75 | — | — | |
| SCHEMBL19906222 | 0.72 | LMNA (0.34) | — | |
| SCHEMBL25713203 | 0.71 | CYP1A2 (0.33) | — | |
| SCHEMBL23416786 | 0.71 | CYP1A2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3131914-B1 | 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV | IDENIX PHARMACEUTICALS LLC (US) | 2023-05-10 | — | — | EP | disclosed |