⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13531898 | 0.91 | APP (0.31) | — | |
| SCHEMBL12397951 | 0.81 | — | — | |
| SCHEMBL21057413 | 0.77 | — | — | |
| SCHEMBL21057412 | 0.77 | — | — | |
| SCHEMBL12397956 | 0.74 | — | — | |
| SCHEMBL3177924 | 0.71 | PPM1D (0.37) | — | |
| SCHEMBL21138385 | 0.69 | NAMPT (0.36) | — | |
| SCHEMBL12397933 | 0.69 | RECQL (0.31) | — | |
| SCHEMBL5957203 | 0.68 | PTPN1 (0.35) | — | |
| SCHEMBL20511929 | 0.66 | TBXAS1 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100016435-A1 | HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES | MCGILL UNIVERSITY (CA) | 2010-01-21 | — | — | US | disclosed |