⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34317 | 0.78 | CA1 (0.36) | — | |
| SCHEMBL16932538 | 0.74 | CA1 (0.33) | — | |
| SCHEMBL3687791 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL225748 | 0.73 | THRB (0.40) | — | |
| SCHEMBL1401584 | 0.72 | RECQL (0.39) | — | |
| SCHEMBL18697361 | 0.71 | CA1 (0.35) | — | |
| Ethane SCHEMBL28230463 | 0.70 | ALDH1A1 (0.37) | — | |
| SCHEMBL2579041 | 0.70 | THRB (0.41) | — | |
| SCHEMBL847735 | 0.70 | TAS1R3 (0.38) | — | |
| SCHEMBL35719 | 0.69 | — | — |
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-7794876-B2 | Pentafluorophenyloxy compound, and nonaqueous electrolyte solution and lithium secondary battery using same | UBE INDUSTRIES, LTD. (JP) | 2010-09-14 | — | — | US | disclosed |
| US-20080107969-A1 | Pentafluorophenyl Methyl Oxalate; good electrical, cycling and storage properties; reacting pentafluorophenol with ethyl chloroglyoxylate | UBE INDUSTRIES, LTD. (JP) | 2008-05-08 | — | — | US | disclosed |