⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL509638 | 0.77 | — | — | |
| SCHEMBL18211010 | 0.76 | — | — | |
| SCHEMBL1904137 | 0.76 | — | — | |
| SCHEMBL15871304 | 0.67 | — | — | |
| SCHEMBL237209 | 0.66 | — | — | |
| SCHEMBL15592082 | 0.65 | — | — | |
| SCHEMBL18231306 | 0.64 | — | — | |
| SCHEMBL12415882 | 0.64 | — | — | |
| SCHEMBL48849 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL3118416 | 0.62 | — | — |
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-20160145324-A1 | Antibodies Directed to Bacillus Anthracis Protective Antigen | The Israel Institute of Biological Research (IIBR) (IL) | 2016-05-26 | — | — | US | disclosed |
| US-8399232-B2 | Enzyme associated with equol synthesis | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-03-19 | — | — | US | disclosed |