⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22799019 | 1.00 | — | — | |
| SCHEMBL21287260 | 1.00 | — | — | |
| SCHEMBL18321898 | 1.00 | — | — | |
| SCHEMBL30197607 | 1.00 | — | — | |
| SCHEMBL30197731 | 1.00 | — | — | |
| SCHEMBL16925168 | 1.00 | — | — | |
| SCHEMBL21287146 | 1.00 | — | — | |
| SCHEMBL16914461 | 0.91 | — | — | |
| SCHEMBL21287261 | 0.90 | — | — | |
| SCHEMBL22055455 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017083867-A1 | ION CHANNEL INHIBITORY COMPOUNDS, PHARMACEUTICAL FORMULATIONS AND USES | AFASCI, INC. (US) | 2017-05-18 | — | — | WO | disclosed |