⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15833006 | 0.83 | NT5E (0.30) | — | |
| SCHEMBL16647623 | 0.83 | NT5E (0.34) | — | |
| SCHEMBL18475773 | 0.83 | NT5E (0.34) | — | |
| SCHEMBL20754387 | 0.82 | SLC29A1 (0.33) | — | |
| SCHEMBL17378467 | 0.81 | ADORA2A (0.35) | — | |
| SCHEMBL18877202 | 0.80 | ADORA2A (0.33) | — | |
| SCHEMBL18671934 | 0.79 | ADORA2A (0.31) | — | |
| SCHEMBL16644377 | 0.79 | ADORA2A (0.31) | — | |
| SCHEMBL21100305 | 0.78 | PDE5A (0.31) | — | |
| SCHEMBL21100287 | 0.78 | PDE5A (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014100505-A1 | SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF | ALIOS BIOPHARMA, INC. (US) | 2014-06-26 | — | — | WO | disclosed |