⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10604261 | 0.74 | — | — | |
| SCHEMBL10604262 | 0.74 | — | — | |
| SCHEMBL8185322 | 0.67 | — | — | |
| SCHEMBL8185325 | 0.67 | — | — | |
| SCHEMBL28757709 | 0.67 | — | — | |
| SCHEMBL8873507 | 0.65 | — | — | |
| SCHEMBL5985764 | 0.64 | — | — | |
| SCHEMBL5985761 | 0.64 | — | — | |
| SCHEMBL12831487 | 0.62 | — | — | |
| SCHEMBL8129051 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2459533-A1 | SMALL MOLECULE INHIBITORS OF ISOPRENYLCYSTEINE CARBOXYL METHYLTRANSFERASE WITH POTENTIAL ANTICANCER ACTIVITY | National University of Singapore (SG) | 2012-06-06 | — | — | EP | disclosed |