⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18868622 | 0.84 | AMY1A (0.38) | — | |
| SCHEMBL11890814 | 0.82 | OGA (0.31) | — | |
| SCHEMBL13780864 | 0.79 | — | — | |
| SCHEMBL24709749 | 0.76 | — | — | |
| SCHEMBL14008603 | 0.76 | FUCA1 (0.32) | — | |
| SCHEMBL16978265 | 0.73 | FUCA1 (0.39) | — | |
| SCHEMBL22330650 | 0.73 | FUCA1 (0.39) | — | |
| SCHEMBL25909575 | 0.73 | FUCA1 (0.39) | — | |
| SCHEMBL14515183 | 0.72 | — | — | |
| SCHEMBL14450140 | 0.72 | FUCA1 (0.42) | — |
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-7824851-B2 | With purine or pyrimidine base; for use in combination with drugs that induce mutation in Flaviviridae at location other than mutation of nucleotide that results in change from serine to a different amino acid in highly conserved consensus sequence XRXSGXXXT of domain B of the RNA polymerase region | IDENIX PHARMACEUTICALS, INC. (US) | 2010-11-02 | — | — | US | disclosed |