⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3126394 | 0.84 | — | — | |
| SCHEMBL11600094 | 0.71 | — | — | |
| SCHEMBL3128448 | 0.64 | — | — | |
| SCHEMBL7738258 | 0.63 | — | — | |
| SCHEMBL9556773 | 0.62 | — | — | |
| SCHEMBL28014271 | 0.62 | — | — | |
| SCHEMBL2505492 | 0.61 | — | — | |
| SCHEMBL11702927 | 0.60 | — | — | |
| SCHEMBL11021136 | 0.60 | — | — | |
| SCHEMBL10446539 | 0.60 | ALDH1A1 (0.32) | — |
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-2010022055-A2 | INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS | AMGEN INC. (US) | 2010-02-25 | — | — | WO | disclosed |