⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13715066 | 0.70 | ARG1 (0.34) | — | |
| SCHEMBL8016763 | 0.70 | ARG1 (0.34) | — | |
| SCHEMBL13715084 | 0.65 | ARG1 (0.30) | — | |
| SCHEMBL28904611 | 0.62 | — | — | |
| SCHEMBL23884534 | 0.62 | AKR1C1 (0.37) | — | |
| SCHEMBL1818488 | 0.62 | AKR1C1 (0.37) | — | |
| SCHEMBL1503255 | 0.62 | ARG1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5698097 | 0.61 | ARG1 (0.36) | — | |
| SCHEMBL11243304 | 0.60 | LMNA (0.37) | — | |
| Hydrochloric Acid SCHEMBL16993455 | 0.60 | ARG1 (0.38) | — |
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-2001044178-A1 | NOVEL UREA COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION | VERSICOR, INC. (US) | 2001-06-21 | — | — | WO | disclosed |