⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28546495 | 0.80 | — | — | |
| SCHEMBL6052759 | 0.80 | — | — | |
| SCHEMBL1109033 | 0.76 | — | — | |
| SCHEMBL680834 | 0.76 | — | — | |
| SCHEMBL2668042 | 0.76 | — | — | |
| SCHEMBL84438 | 0.69 | — | — | |
| SCHEMBL14261139 | 0.67 | PIK3CD (0.38) | — | |
| SCHEMBL12384233 | 0.67 | — | — | |
| SCHEMBL130851 | 0.67 | — | — | |
| SCHEMBL1109036 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016071856-A1 | AMATOXIN DERIVATIVES AND CONJUGATES THEREOF AS INHIBITORS OF RNA POLYMERASE | NOVARTIS AG (CH) | 2016-05-12 | — | — | WO | disclosed |