⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18274458 | 0.79 | — | — | |
| SCHEMBL18274506 | 0.79 | — | — | |
| SCHEMBL3447644 | 0.68 | TRPA1 (0.46) | — | |
| SCHEMBL1275688 | 0.68 | TRPA1 (0.46) | — | |
| SCHEMBL17240231 | 0.68 | — | — | |
| SCHEMBL7417577 | 0.68 | CYP19A1 (0.47) | — | |
| SCHEMBL11877693 | 0.67 | KCNMA1 (0.35) | — | |
| SCHEMBL6340375 | 0.65 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL9493695 | 0.65 | GAA (0.45) | — | |
| SCHEMBL18274468 | 0.63 | ALDH1A1 (0.46) | — |
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-2931717-B1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-12-07 | — | — | EP | disclosed |