⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL116963 | 0.82 | TDP1 (0.35) | — | |
| SCHEMBL22655948 | 0.75 | TDP1 (0.31) | — | |
| SCHEMBL115474 | 0.71 | HTT (0.33) | — | |
| SCHEMBL10814439 | 0.71 | — | — | |
| SCHEMBL10252220 | 0.71 | TDP1 (0.35) | — | |
| SCHEMBL12475927 | 0.68 | LMNA (0.41) | — | |
| SCHEMBL4271120 | 0.68 | USP2 (0.33) | — | |
| SCHEMBL12889619 | 0.67 | GOT1 (0.33) | — | |
| SCHEMBL18721815 | 0.65 | CSNK2A1 (0.30) | — | |
| SCHEMBL24538435 | 0.65 | PDE10A (0.34) | — |
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-2009061879-A1 | PEPTIDE DEFORMYLASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-14 | — | — | WO | disclosed |