⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19249252 | 0.84 | — | — | |
| SCHEMBL10308652 | 0.78 | — | — | |
| SCHEMBL2492160 | 0.77 | MAP2K7 (0.30) | — | |
| SCHEMBL13688654 | 0.73 | — | — | |
| SCHEMBL9910583 | 0.71 | ALDH1A1 (0.43) | — | |
| SCHEMBL15434535 | 0.71 | — | — | |
| SCHEMBL19315889 | 0.69 | — | — | |
| SCHEMBL14468014 | 0.67 | — | — | |
| SCHEMBL17625521 | 0.67 | — | — | |
| Alcohol SCHEMBL28596761 | 0.67 | ALDH1A1 (0.35) | — |
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-2016068341-A1 | THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION | 富士フイルム株式会社 | 2016-05-06 | — | — | WO | disclosed |