⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19154152 | 1.00 | — | — | |
| SCHEMBL12825906 | 0.86 | — | — | |
| SCHEMBL16883359 | 0.83 | — | — | |
| SCHEMBL13644872 | 0.83 | — | — | |
| SCHEMBL3725894 | 0.81 | LSS (0.32) | — | |
| SCHEMBL13149192 | 0.81 | LSS (0.32) | — | |
| SCHEMBL14068268 | 0.81 | LSS (0.32) | — | |
| SCHEMBL3725896 | 0.81 | LSS (0.32) | — | |
| SCHEMBL14182039 | 0.78 | — | — | |
| SCHEMBL13419031 | 0.78 | LSS (0.31) | — |
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-2013023511-A1 | TRIAZOLOPYRIMIDINE DERIVATIVE AND PREPARATION METHOD AND USE THEREOF | 上海恒瑞医药有限公司 (CN) | 2013-02-21 | — | — | WO | disclosed |