⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12950222 | 0.70 | — | — | |
| SCHEMBL27906970 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL27906969 | 0.67 | — | — | |
| SCHEMBL13122426 | 0.65 | SLC22A6 (0.33) | — | |
| SCHEMBL2496509 | 0.64 | CYP1A2 (0.30) | — | |
| Bromide SCHEMBL29035845 | 0.64 | TSHR (0.31) | — | |
| SCHEMBL4846222 | 0.62 | — | — | |
| SCHEMBL14064876 | 0.61 | — | — | |
| SCHEMBL22988369 | 0.61 | — | — | |
| SCHEMBL6747695 | 0.59 | — | — |
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-2360529-A1 | METHOD FOR MANUFACTURING LITHOGRAPHIC PRINTING PLATE, DEVELOPER FOR ORIGINAL LITHOGRAPHIC PRINTING PLATE, AND REPLENISHER FOR DEVELOPING ORIGINAL LITHOGRAPHIC PRINTING PLATE | FUJIFILM Corporation (JP) | 2011-08-24 | — | — | EP | disclosed |