⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7873133 | 1.00 | — | — | |
| SCHEMBL12075585 | 0.81 | — | — | |
| SCHEMBL1316887 | 0.77 | — | — | |
| SCHEMBL11760877 | 0.77 | — | — | |
| SCHEMBL7871005 | 0.73 | — | — | |
| SCHEMBL19388055 | 0.69 | — | — | |
| SCHEMBL17525853 | 0.69 | — | — | |
| SCHEMBL14607340 | 0.69 | — | — | |
| SCHEMBL7872362 | 0.69 | — | — | |
| SCHEMBL7872255 | 0.69 | — | — |
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-9364505-B2 | Therapeutic composition for treatment of glioblastoma | REGENTS OF THE UNIVERSITY OF MINNESOTA (US) | 2016-06-14 | — | — | US | disclosed |