⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1083169 | 0.74 | — | — | |
| SCHEMBL2172453 | 0.73 | — | — | |
| SCHEMBL4543764 | 0.73 | — | — | |
| SCHEMBL4599988 | 0.72 | — | — | |
| SCHEMBL10553052 | 0.70 | — | — | |
| SCHEMBL7967676 | 0.70 | TSHR (0.30) | — | |
| Ethylene Glycol SCHEMBL8947446 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL8745702 | 0.67 | — | — | |
| SCHEMBL6678647 | 0.66 | GSR (0.30) | — | |
| SCHEMBL132161 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2167553-A1 | AMPHOTERIC FLUOROCHEMICALS FOR PAPER | E. I. du Pont de Nemours and Company (US) | 2010-03-31 | — | — | EP | disclosed |
| WO-2009009280-A1 | AMPHOTERIC FLUOROCHEMICALS FOR PAPER | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |