⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17703507 | 0.75 | ENPP2 (0.31) | — | |
| SCHEMBL16235298 | 0.72 | FABP4 (0.41) | — | |
| SCHEMBL21916083 | 0.70 | KDM4E (0.40) | — | |
| SCHEMBL17702573 | 0.70 | GLP1R (0.37) | — | |
| SCHEMBL16234966 | 0.68 | GLA (0.44) | — | |
| SCHEMBL9626228 | 0.64 | GLP1R (0.35) | — | |
| SCHEMBL17703500 | 0.62 | FYN (0.33) | — | |
| SCHEMBL3603960 | 0.61 | ENPP2 (0.38) | — | |
| SCHEMBL16248174 | 0.61 | ALOX15 (0.31) | — | |
| SCHEMBL19972822 | 0.60 | ENPP2 (0.41) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2925743-B1 | N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS | ACTIVE BIOTECH AB (SE) | 2016-02-03 | — | — | EP | disclosed |