⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13256027 | 0.74 | — | — | |
| SCHEMBL18271230 | 0.74 | — | — | |
| SCHEMBL18629967 | 0.74 | — | — | |
| SCHEMBL16440286 | 0.74 | — | — | |
| SCHEMBL14491025 | 0.73 | — | — | |
| SCHEMBL14330784 | 0.73 | — | — | |
| SCHEMBL16120050 | 0.73 | — | — | |
| SCHEMBL171373 | 0.73 | — | — | |
| SCHEMBL24727397 | 0.70 | NCF1 (0.36) | — | |
| SCHEMBL21377186 | 0.70 | ALDH1A1 (0.31) | — |
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-2382191-B1 | NOVEL BENZENESULFONAMIDES AS CALCIUM CHANNEL BLOCKERS | ABBVIE BAHAMAS LTD (BS) | 2014-11-12 | — | — | EP | disclosed |