⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17240250 | 0.77 | — | — | |
| SCHEMBL27707801 | 0.71 | EDNRA (0.31) | — | |
| SCHEMBL27778404 | 0.71 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL18274469 | 0.68 | — | — | |
| SCHEMBL3265716 | 0.67 | LMNA (0.32) | — | |
| SCHEMBL15797684 | 0.66 | OPRM1 (0.32) | — | |
| SCHEMBL17103223 | 0.65 | RXRA (0.32) | — | |
| SCHEMBL17240229 | 0.64 | APLNR (0.32) | — | |
| SCHEMBL22778736 | 0.64 | — | — | |
| SCHEMBL996997 | 0.64 | APLNR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9718774-B2 | Indole carboxamide derivatives as P2X7 receptor antagonist | IDORSIA PHARMACEUTICALS LTD (CH) | 2017-08-01 | — | — | US | disclosed |
| US-20150322008-A1 | INDOLE CARBOXAMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONIST | ACTELION PHARMACEUTICALS LTD (CH) | 2015-11-12 | — | — | US | disclosed |