⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9851849 | 0.85 | — | — | |
| SCHEMBL9851750 | 0.82 | — | — | |
| SCHEMBL9851897 | 0.66 | AHCY (0.40) | — | |
| SCHEMBL9851707 | 0.66 | AHCY (0.40) | — | |
| SCHEMBL9851735 | 0.66 | AHCY (0.40) | — | |
| SCHEMBL9851710 | 0.66 | AHCY (0.40) | — | |
| SCHEMBL9851801 | 0.66 | AHCY (0.40) | — | |
| SCHEMBL9851721 | 0.65 | SLC29A1 (0.40) | — | |
| SCHEMBL9851752 | 0.65 | SLC29A1 (0.40) | — | |
| SCHEMBL9851789 | 0.65 | SLC29A1 (0.40) | — |
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-0450102-A1 | NUCLEOSIDE DERIVATIVE | Yamasa Shoyu Kabushiki Kaisha (JP) | 1991-10-09 | — | — | EP | disclosed |