⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3716638 | 0.56 | — | — | |
| SCHEMBL19314858 | 0.53 | ALDH1A1 (0.36) | — | |
| SCHEMBL15372565 | 0.52 | — | — | |
| SCHEMBL4493809 | 0.51 | — | — | |
| SCHEMBL806335 | 0.51 | — | — | |
| SCHEMBL17602988 | 0.51 | — | — | |
| SCHEMBL544039 | 0.50 | ALDH1A1 (0.58) | — | |
| SCHEMBL2799195 | 0.49 | — | — | |
| SCHEMBL1325616 | 0.49 | — | — | |
| SCHEMBL12467695 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2464645-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | Gilead Palo Alto, Inc. (US) | 2012-06-20 | — | — | EP | disclosed |
| WO-2011014462-A1 | FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS | GILEAD PALO ALTO, INC. (US) | 2011-02-03 | — | — | WO | disclosed |