⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28064016 | 0.68 | — | — | |
| SCHEMBL18570926 | 0.63 | SLC6A4 (0.30) | — | |
| SCHEMBL28067376 | 0.63 | — | — | |
| SCHEMBL28007181 | 0.63 | — | — | |
| SCHEMBL22386278 | 0.62 | — | — | |
| SCHEMBL8472747 | 0.61 | — | — | |
| Methyl Alcohol SCHEMBL11228324 | 0.61 | — | — | |
| SCHEMBL28763337 | 0.60 | — | — | |
| SCHEMBL28123081 | 0.60 | — | — | |
| SCHEMBL309674 | 0.59 | — | — |
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-2415765-A1 | PYRIMIDINE COMPOUND | Astellas Pharma Inc. (JP) | 2012-02-08 | — | — | EP | disclosed |