⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4403791 | 0.88 | ALDH1A1 (0.35) | — | |
| SCHEMBL16281055 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL686116 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL22399915 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL686590 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL13843862 | 0.77 | — | — | |
| SCHEMBL12369728 | 0.76 | ALDH1A1 (0.31) | — | |
| SCHEMBL686988 | 0.76 | SCN9A (0.36) | — | |
| SCHEMBL14390068 | 0.76 | SCN9A (0.36) | — | |
| SCHEMBL12058544 | 0.74 | ALDH1A1 (0.32) | — |
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-7531686-B2 | Salt suitable for an acid generator and a chemically amplified resist composition containing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-05-12 | — | — | US | disclosed |
| US-20070100158-A1 | Salt suitable for an acid generator and a chemically amplified resist composition containing the same | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-05-03 | — | — | US | disclosed |