⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9642310 | 0.76 | — | — | |
| SCHEMBL6253655 | 0.76 | — | — | |
| SCHEMBL232000 | 0.72 | — | — | |
| SCHEMBL15775621 | 0.66 | — | — | |
| SCHEMBL28003677 | 0.63 | — | — | |
| SCHEMBL24776462 | 0.62 | — | — | |
| SCHEMBL3809774 | 0.61 | — | — | |
| SCHEMBL2474821 | 0.61 | — | — | |
| SCHEMBL29035832 | 0.61 | — | — | |
| SCHEMBL7798132 | 0.60 | — | — |
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-3287431-A1 | COMPOSITION, FLUORINATING REAGENT, AND METHOD FOR PRODUCING FLUORINATED ORGANIC COMPOUND | Daikin Industries, Ltd. (JP) | 2018-02-28 | — | — | EP | disclosed |