⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23031925 | 0.82 | KDM4E (0.34) | — | |
| SCHEMBL19920565 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL25710706 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL19920790 | 0.82 | LMNA (0.30) | — | |
| SCHEMBL28759611 | 0.77 | — | — | |
| SCHEMBL8380689 | 0.76 | — | — | |
| SCHEMBL1027169 | 0.76 | — | — | |
| SCHEMBL28022999 | 0.76 | — | — | |
| SCHEMBL28023003 | 0.76 | — | — | |
| SCHEMBL7703176 | 0.75 | HTT (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106232585-B | Triaizine compounds and its medicinal usage | 日本烟草产业株式会社 | 2019-04-02 | — | — | CN | disclosed |
| CN-106232585-A | Triaizine compounds and its medicinal usage | 日本烟草产业株式会社 | 2016-12-14 | — | — | CN | disclosed |