⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18267814 | 0.80 | — | — | |
| SCHEMBL18267816 | 0.79 | — | — | |
| SCHEMBL8224447 | 0.78 | — | — | |
| SCHEMBL4439297 | 0.78 | — | — | |
| SCHEMBL16412779 | 0.78 | — | — | |
| SCHEMBL9933290 | 0.78 | — | — | |
| SCHEMBL18270447 | 0.77 | XPO1 (0.31) | — | |
| SCHEMBL18267812 | 0.77 | CYP2A6 (0.32) | — | |
| SCHEMBL18998905 | 0.75 | — | — | |
| SCHEMBL18373693 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180040387-A1 | Alpha/Beta Radiation Shielding Materials | BATTELLE SAVANNAH RIVER ALLIANCE, LLC | 2018-02-08 | — | — | US | disclosed |
| US-20160180979-A1 | Reinforced Radiological Containment Bag | BATTELLE SAVANNAH RIVER ALLIANCE, LLC | 2016-06-23 | — | — | US | disclosed |
| US-20160180979-A1 | Reinforced Radiological Containment Bag | BATTELLE SAVANNAH RIVER ALLIANCE, LLC | 2016-06-23 | — | — | US | disclosed |