⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22170520 | 1.00 | — | — | |
| SCHEMBL23328619 | 0.77 | — | — | |
| SCHEMBL22674252 | 0.72 | — | — | |
| SCHEMBL21413343 | 0.70 | — | — | |
| SCHEMBL19098991 | 0.70 | — | — | |
| SCHEMBL17364998 | 0.69 | KDM4E (0.34) | — | |
| SCHEMBL17365001 | 0.69 | GRIA4 (0.36) | — | |
| SCHEMBL17365006 | 0.69 | GRIA4 (0.36) | — | |
| SCHEMBL24015905 | 0.69 | KISS1R (0.31) | — | |
| SCHEMBL20652863 | 0.67 | — | — |
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-2523563-B1 | METHOD OF TREATING NEUROLOGICAL CONDITIONS WITH CARDIAC GLYCOSIDES | PHOENIX BIOTECHNOLOGY INC (US) | 2017-06-21 | — | — | EP | disclosed |