⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16235296 | 0.87 | S100A9 (0.31) | — | |
| SCHEMBL16235114 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL16235383 | 0.83 | HTT (0.33) | — | |
| SCHEMBL16235658 | 0.79 | — | — | |
| SCHEMBL16235260 | 0.79 | S100A9 (0.37) | — | |
| SCHEMBL16235667 | 0.79 | CA2 (0.30) | — | |
| SCHEMBL16235463 | 0.70 | S100A9 (0.48) | — | |
| SCHEMBL16235648 | 0.68 | S100A9 (0.33) | — | |
| SCHEMBL16234950 | 0.68 | HTT (0.33) | — | |
| SCHEMBL16235683 | 0.68 | S100A9 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2925743-A1 | N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS | Active Biotech AB (SE) | 2015-10-07 | — | — | EP | claimed |
| WO-2014184234-A1 | N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2014-11-20 | — | — | WO | claimed |
| EP-2925743-A1 | N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS | Active Biotech AB (SE) | 2015-10-07 | — | — | EP | disclosed |
| WO-2014184234-A1 | N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2014-11-20 | — | — | WO | disclosed |