⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8650899 | 0.77 | — | — | |
| SCHEMBL3312949 | 0.76 | PTGS2 (0.42) | — | |
| SCHEMBL2000638 | 0.75 | — | — | |
| SCHEMBL2000644 | 0.75 | — | — | |
| SCHEMBL10652440 | 0.74 | PTGS2 (0.46) | — | |
| E637 SCHEMBL41817 | 0.73 | KDM4E (0.55) | — | |
| E637 SCHEMBL1870685 | 0.73 | KDM4E (0.55) | — | |
| SCHEMBL9628732 | 0.72 | — | — | |
| SCHEMBL257113 | 0.72 | — | — | |
| E637 SCHEMBL6657728 | 0.72 | KDM4E (0.53) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170172184-A1 | Methods of Improving Production of Vanillin | EVOLVA SA (CH) | 2017-06-22 | — | — | US | disclosed |
| EP-2069354-A1 | AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE | Genentech, Inc. (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008024725-A1 | AZA-BENZOFURANYL COMPOUNDS AND METHODS OF USE | GENENTECH, INC. (US) | 2008-02-28 | — | — | WO | disclosed |