⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2513 | 0.77 | — | — | |
| SCHEMBL47204 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL29550023 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28242554 | 0.75 | — | — | |
| SCHEMBL16694372 | 0.75 | — | — | |
| SCHEMBL6169040 | 0.75 | — | — | |
| Ethane SCHEMBL15300165 | 0.75 | — | — | |
| Iodide SCHEMBL13274496 | 0.75 | — | — | |
| SCHEMBL4304356 | 0.73 | — | — | |
| SCHEMBL7472166 | 0.71 | NOTUM (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011073269-A1 | PIPERIDINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | disclosed |
| WO-2011073276-A1 | BENZOXAZINE ARYL SULFONAMIDE DERIVATIVES AS KV1.3 MODULATORS | EVOTEC AG (DE) | 2011-06-23 | — | — | WO | disclosed |