⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22050053 | 1.00 | — | — | |
| SCHEMBL16659520 | 0.79 | — | — | |
| Water SCHEMBL8832205 | 0.76 | — | — | |
| SCHEMBL27094637 | 0.75 | — | — | |
| SCHEMBL24703609 | 0.74 | PTPN11 (0.32) | — | |
| SCHEMBL14108539 | 0.74 | — | — | |
| SCHEMBL20954120 | 0.74 | PTPN11 (0.32) | — | |
| SCHEMBL18328259 | 0.74 | PTPN11 (0.32) | — | |
| SCHEMBL13931091 | 0.74 | — | — | |
| SCHEMBL25646842 | 0.74 | — | — |
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-20090054440-A1 | Quinoline derivatives as neurokinin receptor antagonists | CARLING WILLIAM ROBERT | 2009-02-26 | — | — | US | disclosed |