⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3137108 | 1.00 | — | — | |
| SCHEMBL3133998 | 0.84 | — | — | |
| SCHEMBL3133997 | 0.84 | — | — | |
| Trifluoroacetic Acid SCHEMBL3137113 | 0.78 | UHRF1 (0.30) | — | |
| Trifluoroacetic Acid SCHEMBL3137098 | 0.78 | UHRF1 (0.30) | — | |
| SCHEMBL3139314 | 0.69 | — | — | |
| SCHEMBL3558734 | 0.69 | OPRM1 (0.31) | — | |
| SCHEMBL3132103 | 0.68 | OPRD1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3137097 | 0.67 | UHRF1 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3134000 | 0.67 | UHRF1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010056633-A2 | 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES | JANSSEN PHARMACEUTICA NV (BE) | 2010-05-20 | — | — | WO | disclosed |
| US-20090156577-A1 | 7-AMINO ALKYLIDENYL-HETEROCYCLIC QUINOLONES AND NAPHTHYRIDONES | JANSSEN PHARMACEUTICA NV (BE) | 2009-06-18 | — | — | US | disclosed |