⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15564295 | 0.78 | — | — | |
| SCHEMBL16765400 | 0.72 | — | — | |
| SCHEMBL17318349 | 0.69 | MEN1 (0.46) | — | |
| SCHEMBL15314953 | 0.67 | STAT3 (0.33) | — | |
| SCHEMBL18128045 | 0.66 | — | — | |
| SCHEMBL7372527 | 0.65 | PPM1D (0.30) | — | |
| SCHEMBL8464668 | 0.63 | POLB (0.30) | — | |
| SCHEMBL15564621 | 0.62 | — | — | |
| SCHEMBL30295356 | 0.62 | — | — | |
| SCHEMBL24201004 | 0.62 | — | — |
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-2419403-A1 | VITAMIN D RECEPTOR AGONISTS AND USES THEREOF | Vidasym, Llc (US) | 2012-02-22 | — | — | EP | disclosed |