⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19830797 | 0.73 | — | — | |
| SCHEMBL20767759 | 0.72 | — | — | |
| SCHEMBL6718846 | 0.64 | — | — | |
| SCHEMBL7675672 | 0.62 | FDPS (0.33) | — | |
| SCHEMBL28518951 | 0.60 | — | — | |
| SCHEMBL7678873 | 0.59 | TSHR (0.34) | — | |
| SCHEMBL6204289 | 0.59 | FDPS (0.31) | — | |
| SCHEMBL8978417 | 0.59 | AKR1B1 (0.36) | — | |
| SCHEMBL11188601 | 0.58 | — | — | |
| SCHEMBL9835345 | 0.58 | — | — |
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-2010001933-A1 | HISTONE MODIFICATION INHIBITOR SPECIFIC TO TARGET GENE | 学校法人日本大学 (JP) | 2010-01-07 | — | — | WO | disclosed |