⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4151487 | 1.00 | — | — | |
| SCHEMBL2687928 | 0.87 | STAT3 (0.32) | — | |
| SCHEMBL9947088 | 0.84 | — | — | |
| SCHEMBL10041396 | 0.82 | STAT3 (0.31) | — | |
| SCHEMBL3521753 | 0.78 | TOP2A (0.32) | — | |
| SCHEMBL4170469 | 0.78 | TOP2A (0.32) | — | |
| SCHEMBL4170466 | 0.78 | TOP2A (0.32) | — | |
| SCHEMBL14107875 | 0.77 | — | — | |
| SCHEMBL14107877 | 0.77 | — | — | |
| SCHEMBL1604234 | 0.76 | STAT3 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8377913-B2 | Vitamin D receptor activators and methods of making | ABBVIE INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-20090131379-A1 | VITAMIN D RECEPTOR ACTIVATORS AND METHODS OF MAKING | ABBOTT LABORATORIES (US) | 2009-05-21 | — | — | US | disclosed |