⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23893745 | 1.00 | — | — | |
| SCHEMBL22066508 | 0.78 | — | — | |
| SCHEMBL21737740 | 0.73 | — | — | |
| SCHEMBL13784825 | 0.73 | — | — | |
| SCHEMBL1648895 | 0.73 | — | — | |
| SCHEMBL1648894 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL22771653 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL22771654 | 0.71 | — | — | |
| SCHEMBL25151021 | 0.71 | — | — | |
| SCHEMBL23170426 | 0.71 | — | — |
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-2316829-A1 | Heterocyclic derivatives as modulators of ion channels | Vertex Pharmaceuticals Incorporated (US) | 2011-05-04 | — | — | EP | disclosed |