⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6295288 | 0.79 | — | — | |
| SCHEMBL28675418 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL25499 | 0.72 | — | — | |
| SCHEMBL6691818 | 0.69 | — | — | |
| SCHEMBL36361 | 0.69 | LMNA (0.42) | — | |
| SCHEMBL9405740 | 0.67 | — | — | |
| SCHEMBL891738 | 0.67 | — | — | |
| SCHEMBL7850783 | 0.67 | — | — | |
| SCHEMBL28959835 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL891763 | 0.67 | — | — |
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-2013089212-A1 | SUBSTITUTED TRIAZINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 塩野義製薬株式会社 (JP) | 2013-06-20 | — | — | WO | disclosed |