⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13271705 | 0.86 | — | — | |
| SCHEMBL10280898 | 0.69 | — | — | |
| SCHEMBL570266 | 0.67 | — | — | |
| SCHEMBL8526654 | 0.67 | — | — | |
| SCHEMBL8526655 | 0.67 | — | — | |
| SCHEMBL910074 | 0.65 | — | — | |
| SCHEMBL12994059 | 0.65 | — | — | |
| SCHEMBL10594038 | 0.65 | — | — | |
| SCHEMBL29132747 | 0.65 | — | — | |
| SCHEMBL13889160 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009117831-A1 | HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2009-10-01 | — | — | WO | disclosed |