⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2457476 | 0.98 | NPSR1 (0.39) | — | |
| SCHEMBL4433368 | 0.89 | MAPT (0.50) | — | |
| SCHEMBL1189812 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL5523751 | 0.75 | NPSR1 (0.40) | — | |
| SCHEMBL8144227 | 0.75 | — | — | |
| SCHEMBL181267 | 0.74 | EPHX1 (0.40) | — | |
| SCHEMBL14276911 | 0.73 | MAPT (0.44) | — | |
| SCHEMBL6294200 | 0.73 | MAPT (0.44) | — | |
| SCHEMBL11200319 | 0.72 | MAPT (0.40) | — | |
| SCHEMBL13197421 | 0.71 | NPSR1 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2217226-A1 | PEPTIDE DEFORMYLASE INHIBITORS | GlaxoSmithKline LLC (US) | 2010-08-18 | — | — | EP | disclosed |
| WO-2009061879-A1 | PEPTIDE DEFORMYLASE INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2009-05-14 | — | — | WO | disclosed |