⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14684243 | 0.79 | PTGS2 (0.34) | — | |
| SCHEMBL2603155 | 0.75 | PTGS2 (0.33) | — | |
| SCHEMBL11928935 | 0.72 | — | — | |
| SCHEMBL14515625 | 0.61 | — | — | |
| SCHEMBL905130 | 0.59 | — | — | |
| SCHEMBL12394130 | 0.58 | — | — | |
| SCHEMBL9999455 | 0.56 | — | — | |
| SCHEMBL6895559 | 0.56 | — | — | |
| SCHEMBL22192813 | 0.55 | — | — | |
| SCHEMBL14714137 | 0.54 | L3MBTL1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7442804-B2 | Process for the preparation of furopyrroles | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2008-10-28 | — | — | US | disclosed |
| US-20070100135-A1 | Process for the preparation of furopyrroles | CIBA SPECIALTY CHEMICALS CORPORATION | 2007-05-03 | — | — | US | disclosed |