⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8629354 | 0.89 | — | — | |
| SCHEMBL4553767 | 0.83 | OPRM1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL4555270 | 0.82 | OPRM1 (0.34) | — | |
| SCHEMBL5697656 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL289296 | 0.71 | — | — | |
| SCHEMBL14761865 | 0.70 | — | — | |
| SCHEMBL8598759 | 0.69 | — | — | |
| SCHEMBL18329656 | 0.68 | — | — | |
| SCHEMBL373953 | 0.66 | — | — | |
| SCHEMBL14546083 | 0.66 | GAA (0.35) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1235885-A1 | COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH | Uniroyal Chemical Company, Inc. (US) | 2002-09-04 | — | — | EP | claimed |
| WO-2001040404-A1 | COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2001-06-07 | — | — | WO | claimed |
| EP-1794107-B8 | SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS | CHEMTURA CORP (US) | 2009-02-25 | — | — | EP | disclosed |
| EP-1817271-A1 | AROMATIC SULFONIC ACIDS, AMINES, AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSANILINES AS POLYMERIZATION INHIBITORS | Chemtura Corporation (US) | 2007-08-15 | — | — | EP | disclosed |
| EP-1794107-A1 | SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS | Chemtura USA Corporation (US) | 2007-06-13 | — | — | EP | disclosed |
| EP-1794106-A1 | SULFONATED PHENOLS WITH NITROPHENOLS AS POLYMERIZATION INHIBITORS | Chemtura Corporation (US) | 2007-06-13 | — | — | EP | disclosed |
| WO-2006062563-A1 | AROMATIC SULFONIC ACIDS, AMINES, AND NITROPHENOLS IN COMBINATION WITH NITROXYL RADICAL-CONTAINING COMPOUNDS OR C-NITROSANILINES AS POLYMERIZATION INHIBITORS | CHEMTURA CORPORATION (US) | 2006-06-15 | — | — | WO | disclosed |
| WO-2006036426-A1 | SULFONATED NITROPHENOLS AS POLYMERIZATION INHIBITORS | CHEMTURA CORPORATION (US) | 2006-04-06 | — | — | WO | disclosed |
| WO-2006036274-A1 | SULFONATED PHENOLS WITH NITROPHENOLS AS POLYMERIZATION INHIBITORS | CHEMTURA CORPORATION (US) | 2006-04-06 | — | — | WO | disclosed |
| EP-1235885-A1 | COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH | Uniroyal Chemical Company, Inc. (US) | 2002-09-04 | — | — | EP | disclosed |
| WO-2001040404-A1 | COMPOSITION AND METHOD FOR INHIBITING POLYMERIZATION AND POLYMER GROWTH | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2001-06-07 | — | — | WO | disclosed |