⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12824735 | 0.79 | — | — | |
| SCHEMBL12778631 | 0.67 | — | — | |
| SCHEMBL999830 | 0.65 | — | — | |
| SCHEMBL21077607 | 0.65 | — | — | |
| SCHEMBL21475559 | 0.61 | ALDH1A1 (0.35) | — | |
| SCHEMBL24869232 | 0.60 | — | — | |
| SCHEMBL11008057 | 0.60 | — | — | |
| SCHEMBL18519461 | 0.60 | — | — | |
| SCHEMBL12824734 | 0.60 | — | — | |
| SCHEMBL192552 | 0.58 | — | — |
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-2107371-A1 | METHOD FOR SEPARATION OF ORGANIC HALOGEN, METHOD FOR MEASUREMENT OF CONCENTRATION OF LOW-VOLATILE ORGANIC HALOGEN, AND METHOD FOR MEASUREMENT OF CONCENTRATION OF DIOXIN | Electric Power Development Co., Ltd. (JP) | 2009-10-07 | — | — | EP | disclosed |