⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4160971 | 0.86 | STAT3 (0.32) | — | |
| SCHEMBL4162114 | 0.83 | — | — | |
| SCHEMBL4862979 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL13852409 | 0.80 | — | — | |
| SCHEMBL851423 | 0.77 | STAT3 (0.32) | — | |
| SCHEMBL9955464 | 0.77 | STAT3 (0.32) | — | |
| SCHEMBL852519 | 0.75 | — | — | |
| SCHEMBL18786196 | 0.75 | — | — | |
| SCHEMBL628761 | 0.74 | — | — | |
| SCHEMBL6429594 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7598408-B2 | Intermediates for synthesis of vitamin D derivatives | KNC LABORATORIES CO., LTD. (JP) | 2009-10-06 | — | — | US | disclosed |
| US-7598408-B2 | Intermediates for synthesis of vitamin D derivatives | KNC LABORATORIES CO., LTD. (JP) | 2009-10-06 | — | — | US | disclosed |
| US-20060106242-A1 | Novel intermediates for synthesis of vitamin d derivatives | KNC LABORATORIES CO., LTD. (JP) | 2006-05-18 | — | — | US | disclosed |
| EP-1598360-A1 | NOVEL INTERMEDIATES FOR SYNTHESIS OF VITAMIN D DERIVATIVES | KNC Laboratories Co., Ltd (JP) | 2005-11-23 | — | — | EP | disclosed |