⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13936649 | 0.86 | EPHX1 (0.34) | — | |
| SCHEMBL14136355 | 0.84 | — | — | |
| SCHEMBL27577156 | 0.80 | EPHX1 (0.39) | — | |
| SCHEMBL19679395 | 0.80 | EPHX1 (0.34) | — | |
| SCHEMBL1679017 | 0.80 | — | — | |
| SCHEMBL21166054 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL4406223 | 0.77 | — | — | |
| SCHEMBL21370739 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL3369009 | 0.75 | EPHX1 (0.41) | — | |
| Ethylene SCHEMBL27521903 | 0.75 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090275664-A1 | NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES | PROGEN PHARMACEUTICALS, INC. | 2009-11-05 | — | — | US | disclosed |