⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2734239 | 0.67 | — | — | |
| SCHEMBL7187604 | 0.65 | — | — | |
| SCHEMBL11199501 | 0.65 | — | — | |
| Ethane Dimethane Sulfonate SCHEMBL1336145 | 0.64 | USP2 (0.75) | — | |
| SCHEMBL783382 | 0.64 | USP2 (0.56) | — | |
| SCHEMBL6020062 | 0.63 | USP2 (0.42) | — | |
| Busulfan SCHEMBL28889849 | 0.63 | TSHR (0.94) | — | |
| SCHEMBL30632546 | 0.62 | — | — | |
| Dimethylamine SCHEMBL5971936 | 0.62 | USP2 (0.52) | — | |
| SCHEMBL7287156 | 0.61 | — | — |
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-2017133517-A1 | PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF | 四川海思科制药有限公司 | 2017-08-10 | — | — | WO | disclosed |