⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21749881 | 0.92 | — | — | |
| SCHEMBL220011 | 0.81 | — | — | |
| SCHEMBL16856029 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL30025382 | 0.78 | — | — | |
| Ethylene SCHEMBL21749844 | 0.75 | — | — | |
| SCHEMBL27083049 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL11183332 | 0.74 | — | — | |
| SCHEMBL21749892 | 0.73 | ALDH1A1 (0.48) | — | |
| SCHEMBL1938724 | 0.72 | — | — | |
| SCHEMBL892930 | 0.72 | — | — |
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-4212503-A1 | FLUORINATED CARBOXYLIC ACID SALT COMPOUND | Daikin Industries, Ltd. (JP) | 2023-07-19 | — | — | EP | disclosed |