⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL45858 | 0.80 | — | — | |
| SCHEMBL6827419 | 0.76 | — | — | |
| SCHEMBL10668373 | 0.75 | ALOX5 (0.40) | — | |
| SCHEMBL257119 | 0.74 | — | — | |
| Methane SCHEMBL7301460 | 0.72 | — | — | |
| SCHEMBL24974349 | 0.72 | ALOX5 (0.38) | — | |
| SCHEMBL7961905 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL144611 | 0.70 | — | — | |
| SCHEMBL13407748 | 0.70 | — | — | |
| SCHEMBL14047955 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |