⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19863262 | 0.86 | — | — | |
| SCHEMBL19863278 | 0.83 | — | — | |
| SCHEMBL19866621 | 0.82 | HDAC8 (0.38) | — | |
| SCHEMBL19862667 | 0.73 | POLB (0.33) | — | |
| SCHEMBL19863277 | 0.71 | ALDH1A1 (0.39) | — | |
| SCHEMBL19863256 | 0.70 | SRC (0.41) | — | |
| SCHEMBL19863272 | 0.68 | PDK1 (0.42) | — | |
| SCHEMBL19862660 | 0.67 | KMT2A (0.33) | — | |
| SCHEMBL19862655 | 0.65 | CYP3A4 (0.34) | — | |
| SCHEMBL19862669 | 0.64 | PDK1 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9983475-B2 | Fluorinated sulfonate esters of aryl ketones for non-ionic photo-acid generators | INTERNATIONAL BUSINESS MACHINES CORPORATION (US) | 2018-05-29 | — | — | US | disclosed |
| US-20180046077-A1 | FLUORINATED SULFONATE ESTERS OF ARYL KETONES FOR NON-IONIC PHOTO-ACID GENERATORS | INTERNATIONAL BUSINESS MACHINES CORPORATION | 2018-02-15 | — | — | US | disclosed |