⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5074264 | 0.88 | — | — | |
| SCHEMBL1860072 | 0.85 | — | — | |
| SCHEMBL5597561 | 0.81 | — | — | |
| 1-Methylimidazole SCHEMBL3690661 | 0.78 | — | — | |
| SCHEMBL3650295 | 0.77 | — | — | |
| SCHEMBL21986627 | 0.72 | — | — | |
| SCHEMBL1860070 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL5597713 | 0.71 | — | — | |
| SCHEMBL3648329 | 0.70 | — | — | |
| SCHEMBL3399075 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070100181-A1 | Olefin isomerization | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | claimed |
| US-20070100184-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 | disclosed |
| US-20070100184-A1 | Alkylation of aromatic compounds | E. I. DU PONT DE NEMOURS AND COMPANY | 2007-05-03 | — | — | US | disclosed |