⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21655188 | 0.86 | FPR2 (0.39) | — | |
| SCHEMBL23570971 | 0.80 | MAPT (0.41) | — | |
| SCHEMBL103477 | 0.80 | — | — | |
| SCHEMBL18880078 | 0.80 | SMYD3 (0.47) | — | |
| SCHEMBL9127652 | 0.80 | BCHE (0.35) | — | |
| SCHEMBL25161166 | 0.79 | KDM4E (0.37) | — | |
| SCHEMBL10257034 | 0.78 | — | — | |
| SCHEMBL22987448 | 0.76 | — | — | |
| SCHEMBL25138383 | 0.76 | SMYD3 (0.44) | — | |
| SCHEMBL3562819 | 0.76 | — | — |
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-2010005534-A2 | PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2010-01-14 | — | — | WO | disclosed |