⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL357196 | 0.88 | ALDH1A1 (0.30) | — | |
| SCHEMBL2047142 | 0.86 | — | — | |
| SCHEMBL647908 | 0.79 | ALDH1A1 (0.32) | — | |
| Potassium Ion SCHEMBL2196769 | 0.78 | — | — | |
| SCHEMBL357060 | 0.77 | ALDH1A1 (0.31) | — | |
| Phosphine SCHEMBL4090593 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL21351043 | 0.77 | — | — | |
| SCHEMBL13049523 | 0.77 | — | — | |
| SCHEMBL3646926 | 0.72 | CES1 (0.33) | — | |
| SCHEMBL1149102 | 0.72 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070100183-A1 | Alkylation of aromatic compounds | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | claimed |
| US-20070100181-A1 | Olefin isomerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | claimed |
| US-20070100193-A1 | Olefin polymerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | claimed |
| US-20070098619-A1 | Porous microcomposite of fluorinated sulfonic acid and a network of silica | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | claimed |
| US-20070100192-A1 | Olefin isomerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | claimed |
| CN-101296749-A | Porous microcomposite of fluorinated sulfonic acid and a network of silica | DU PONT (US) | 2008-10-29 | — | — | CN | disclosed |
| EP-1960103-A2 | POROUS MICROCOMPOSITE OF FLUORINATED SULFONIC ACID AND A NETWORK OF SILICA | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-08-27 | — | — | EP | disclosed |
| WO-2007050601-A3 | POROUS MICROCOMPOSITE OF FLUORINATED SULFONIC ACID AND A NETWORK OF SILICA | DU PONT (US) | 2007-06-14 | — | — | WO | disclosed |
| US-20070100181-A1 | Olefin isomerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | disclosed |
| US-20070100183-A1 | Alkylation of aromatic compounds | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | disclosed |
| US-20070100193-A1 | Olefin polymerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | disclosed |
| US-20070098619-A1 | Porous microcomposite of fluorinated sulfonic acid and a network of silica | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | disclosed |
| US-20070098619-A1 | Porous microcomposite of fluorinated sulfonic acid and a network of silica | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | disclosed |
| WO-2007050601-A2 | POROUS MICROCOMPOSITE OF FLUORINATED SULFONIC ACID AND A NETWORK OF SILICA | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2007-05-03 | — | — | WO | disclosed |
| US-20070100192-A1 | Olefin isomerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | disclosed |