⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL68370 | 0.97 | — | — | |
| Iodide SCHEMBL28915985 | 0.94 | — | — | |
| SCHEMBL12003709 | 0.94 | — | — | |
| SCHEMBL31683769 | 0.94 | — | — | |
| Cyanate SCHEMBL27850887 | 0.82 | — | — | |
| Acrylic Acid SCHEMBL30729321 | 0.75 | LMNA (0.40) | — | |
| SCHEMBL597296 | 0.69 | — | — | |
| SCHEMBL935566 | 0.67 | — | — | |
| SCHEMBL81650 | 0.67 | NISCH (0.59) | — | |
| SCHEMBL1873677 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2210880-B1 | Benzoxazinone derivatives | MSD KK (JP) | 2015-08-26 | — | — | EP | disclosed |
| EP-2210880-A1 | BENZOXAZINONE DERIVATIVE | Banyu Pharmaceutical Co., Ltd. (JP) | 2010-07-28 | — | — | EP | disclosed |