⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6711870 | 0.90 | FBP1 (0.31) | — | |
| SCHEMBL6711703 | 0.89 | MAPK8 (0.31) | — | |
| SCHEMBL6710370 | 0.89 | HIF1A (0.38) | — | |
| SCHEMBL6711740 | 0.87 | RXFP1 (0.33) | — | |
| SCHEMBL6708764 | 0.84 | GRIK1 (0.32) | — | |
| SCHEMBL6707936 | 0.83 | LMNA (0.35) | — | |
| SCHEMBL6713833 | 0.83 | CXCR1 (0.34) | — | |
| SCHEMBL6709946 | 0.81 | LMNA (0.36) | — | |
| SCHEMBL6834027 | 0.80 | ALB (0.40) | — | |
| SCHEMBL6710104 | 0.79 | TRPA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040142981-A1 | Antibacterial benzoic acid derivatives | PHARMACIA & UPJOHN COMPANY | 2004-07-22 | — | — | US | disclosed |