⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28138479 | 0.85 | — | — | |
| SCHEMBL33294 | 0.85 | — | — | |
| SCHEMBL8347882 | 0.80 | — | — | |
| SCHEMBL554929 | 0.80 | — | — | |
| Tetrafluoroethylene SCHEMBL28139160 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL11722996 | 0.75 | — | — | |
| Bromide SCHEMBL11720744 | 0.75 | — | — | |
| SCHEMBL6243600 | 0.75 | — | — | |
| SCHEMBL7050250 | 0.70 | — | — | |
| SCHEMBL2463413 | 0.70 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1781583-A4 | CHEMICAL PRODUCTION PROCESSES AND SYSTEMS | GREAT LAKES CHEMICAL CORP (US) | 2009-01-21 | — | — | EP | disclosed |
| EP-1781583-A1 | CHEMICAL PRODUCTION PROCESSES AND SYSTEMS | GREAT LAKES CHEMICAL CORPORATION (US) | 2007-05-09 | — | — | EP | disclosed |
| WO-2006026400-A1 | CHEMICAL PRODUCTION PROCESSES AND SYSTEMS | GREAT LAKES CHEMICAL CORPORATION (US) | 2006-03-09 | — | — | WO | disclosed |