⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7933529 | 0.93 | ZDHHC7 (0.31) | — | |
| SCHEMBL7936535 | 0.91 | ZDHHC7 (0.33) | — | |
| SCHEMBL7939273 | 0.75 | — | — | |
| SCHEMBL6655896 | 0.73 | — | — | |
| SCHEMBL497218 | 0.71 | — | — | |
| SCHEMBL2885327 | 0.69 | — | — | |
| SCHEMBL277133 | 0.69 | — | — | |
| SCHEMBL11472453 | 0.69 | — | — | |
| SCHEMBL7778020 | 0.69 | CA1 (0.36) | — | |
| Bicarbonate SCHEMBL10723444 | 0.69 | CA2 (0.35) | — |
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-1013660-A1 | 2-FLUOROFUCOSYL-N-AROYLGLUCOSAMINE DERIVATIVES, INTERMEDIATES THEREFOR, AND PROCESSES FOR PRODUCING THESE | Daikin Industries, Limited (JP) | 2000-06-28 | — | — | EP | disclosed |