⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26968829 | 0.88 | THRB (0.53) | — | |
| SCHEMBL19708220 | 0.77 | THRB (0.42) | — | |
| SCHEMBL26968842 | 0.77 | THRB (0.42) | — | |
| SCHEMBL26894517 | 0.77 | CA12 (0.48) | — | |
| SCHEMBL17833166 | 0.77 | THRB (0.42) | — | |
| SCHEMBL22928680 | 0.75 | THRB (0.40) | — | |
| SCHEMBL10118560 | 0.74 | — | — | |
| SCHEMBL727635 | 0.74 | — | — | |
| SCHEMBL6822634 | 0.74 | — | — | |
| SCHEMBL26968860 | 0.74 | SAT1 (0.39) | — |
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-2008036168-A2 | NEW SMALL MOLECULE INHIBITORS OF MDM2 AND THE USES THEREOF | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2008-03-27 | — | — | WO | disclosed |