⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13156615 | 0.71 | — | — | |
| SCHEMBL793485 | 0.71 | — | — | |
| SCHEMBL649438 | 0.71 | CYP1A2 (0.34) | — | |
| SCHEMBL793137 | 0.71 | — | — | |
| SCHEMBL18405847 | 0.69 | CYP1A2 (0.32) | — | |
| SCHEMBL653075 | 0.67 | HTR2A (0.31) | — | |
| SCHEMBL793257 | 0.66 | MAPT (0.32) | — | |
| SCHEMBL19731066 | 0.66 | — | — | |
| SCHEMBL14126376 | 0.66 | MAPT (0.32) | — | |
| SCHEMBL762099 | 0.65 | CYP2A6 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |