⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3343968 | 0.86 | GRIN2D (0.30) | — | |
| SCHEMBL3340629 | 0.77 | — | — | |
| SCHEMBL7173883 | 0.69 | SMN1; SMN2 (0.34) | — | |
| SCHEMBL23403823 | 0.65 | PGR (0.39) | — | |
| SCHEMBL15011182 | 0.64 | NOTUM (0.33) | — | |
| SCHEMBL2962190 | 0.63 | KMT2A (0.32) | — | |
| SCHEMBL27763269 | 0.63 | PGR (0.38) | — | |
| SCHEMBL27669772 | 0.63 | CCNC (0.31) | — | |
| SCHEMBL2969375 | 0.63 | PGR (0.31) | — | |
| SCHEMBL9655714 | 0.63 | PGR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070054936-A1 | Novel quinoline derivatives as potassium ion channel openers | JANSSEN PHARMACEUTICA N.V. (BE) | 2007-03-08 | — | — | US | disclosed |