⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8822535 | 0.89 | — | — | |
| SCHEMBL16357118 | 0.78 | — | — | |
| SCHEMBL6655447 | 0.78 | PPM1D (0.33) | — | |
| SCHEMBL14376845 | 0.78 | — | — | |
| SCHEMBL3187924 | 0.77 | PPM1D (0.34) | — | |
| SCHEMBL3179253 | 0.76 | BUB1 (0.34) | — | |
| SCHEMBL9281239 | 0.76 | BUB1 (0.34) | — | |
| SCHEMBL8536413 | 0.76 | BUB1 (0.34) | — | |
| SCHEMBL16317427 | 0.74 | — | — | |
| SCHEMBL9115144 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2018366-A1 | HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES | McGILL UNIVERSITY (CA) | 2009-01-28 | — | — | EP | disclosed |
| WO-2007131364-A1 | HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES | MCGILL UNIVERSITY (CA) | 2007-11-22 | — | — | WO | disclosed |