⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5571206 | 0.87 | FOLH1 (0.37) | — | |
| SCHEMBL5571202 | 0.87 | FOLH1 (0.37) | — | |
| SCHEMBL8726801 | 0.72 | — | — | |
| SCHEMBL28972983 | 0.72 | CYP1A2 (0.34) | — | |
| SCHEMBL5573452 | 0.71 | — | — | |
| SCHEMBL4459591 | 0.68 | GRM8 (0.34) | — | |
| SCHEMBL8234490 | 0.68 | GRM8 (0.34) | — | |
| SCHEMBL31378966 | 0.68 | — | — | |
| SCHEMBL29005789 | 0.67 | LTA4H (0.37) | — | |
| SCHEMBL11658695 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0711177-B1 | IMPROVEMENTS RELATING TO THE PREPARATION OF PRODRUGS | CANCER RES CAMPAIGN TECH (GB) | 2007-05-09 | — | — | EP | disclosed |