⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3301524 | 0.96 | KEAP1 (0.30) | — | |
| SCHEMBL13390766 | 0.90 | IRAK4 (0.31) | — | |
| SCHEMBL3305275 | 0.84 | IRAK4 (0.31) | — | |
| SCHEMBL13409207 | 0.82 | — | — | |
| SCHEMBL3301519 | 0.81 | KEAP1 (0.33) | — | |
| SCHEMBL13391255 | 0.80 | PLAU (0.33) | — | |
| SCHEMBL3295567 | 0.79 | TMEM97 (0.33) | — | |
| SCHEMBL10317092 | 0.78 | IRAK4 (0.33) | — | |
| SCHEMBL3299220 | 0.78 | IRAK4 (0.36) | — | |
| SCHEMBL3298992 | 0.78 | KDM4D (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2121600-B1 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INT (DE) | 2012-07-18 | — | — | EP | disclosed |
| EP-2121600-A2 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | Boehringer Ingelheim International GmbH (DE) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008099000-A2 | SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2008-08-21 | — | — | WO | disclosed |