⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28054746 | 0.90 | ALOX15 (0.39) | — | |
| SCHEMBL28054837 | 0.89 | — | — | |
| SCHEMBL28054890 | 0.87 | NPSR1 (0.35) | — | |
| SCHEMBL28054703 | 0.86 | NPSR1 (0.34) | — | |
| SCHEMBL28054829 | 0.85 | KDM4E (0.37) | — | |
| SCHEMBL28054858 | 0.85 | CTSA (0.34) | — | |
| SCHEMBL28054702 | 0.84 | — | — | |
| SCHEMBL28054830 | 0.84 | NPSR1 (0.34) | — | |
| SCHEMBL28054701 | 0.84 | — | — | |
| SCHEMBL28054862 | 0.82 | NPSR1 (0.46) | — |
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-105693771-B | Phosphonate ester compound and its preparation method and application containing pyrimidine ring | 华中师范大学 | 2018-08-14 | — | — | CN | disclosed |
| CN-105693771-A | Phosphonate compound containing pyrimidine ring as well as preparation method and application thereof | 华中师范大学 | 2016-06-22 | — | — | CN | disclosed |