⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5078363 | 0.74 | — | — | |
| SCHEMBL16348569 | 0.72 | — | — | |
| SCHEMBL35238 | 0.69 | — | — | |
| SCHEMBL5918577 | 0.69 | — | — | |
| SCHEMBL2480102 | 0.69 | HIF1A (0.64) | — | |
| SCHEMBL11850157 | 0.67 | — | — | |
| SCHEMBL14616447 | 0.67 | HIF1A (0.75) | — | |
| SCHEMBL17369100 | 0.67 | HIF1A (0.75) | — | |
| SCHEMBL2153965 | 0.67 | HIF1A (0.75) | — | |
| SCHEMBL1676795 | 0.67 | HIF1A (0.75) | — |
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-0946517-A1 | N-(IMIDAZOLYLBUTYL) BENZENESULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION | SYNTHELABO (FR) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998022443-A1 | N-(IMIDAZOLYLBUTYL) BENZENESULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION | SYNTHELABO (FR) | 1998-05-28 | — | — | WO | disclosed |