⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6970658 | 0.80 | — | — | |
| SCHEMBL2500295 | 0.76 | KDM4E (0.57) | — | |
| SCHEMBL6970654 | 0.71 | — | — | |
| SCHEMBL18576296 | 0.71 | — | — | |
| SCHEMBL2242250 | 0.71 | — | — | |
| SCHEMBL6773592 | 0.71 | — | — | |
| SCHEMBL12725535 | 0.71 | — | — | |
| SCHEMBL8439789 | 0.70 | — | — | |
| SCHEMBL6124941 | 0.69 | KDM4E (0.64) | — | |
| SCHEMBL14911088 | 0.69 | — | — |
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-3858349-A1 | NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME | Japan Tobacco Inc. (JP) | 2021-08-04 | — | — | EP | disclosed |