⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11622947 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL2386256 | 0.75 | CHRNB2 (0.43) | — | |
| SCHEMBL4954871 | 0.75 | — | — | |
| SCHEMBL20898757 | 0.75 | — | — | |
| SCHEMBL20899808 | 0.69 | — | — | |
| SCHEMBL25125907 | 0.69 | — | — | |
| SCHEMBL5249187 | 0.69 | — | — | |
| SCHEMBL7280150 | 0.69 | — | — | |
| SCHEMBL1938743 | 0.69 | — | — | |
| SCHEMBL208709 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011073273-A1 | BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | claimed |
| WO-2011073277-A1 | PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS Kv1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011073273-A1 | BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | disclosed |