⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4366627 | 0.78 | — | — | |
| SCHEMBL23884121 | 0.73 | — | — | |
| SCHEMBL21914175 | 0.68 | MEN1 (0.33) | — | |
| SCHEMBL11045961 | 0.67 | CDK1 (0.31) | — | |
| SCHEMBL6129175 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL10638193 | 0.65 | — | — | |
| SCHEMBL18757157 | 0.65 | MEN1 (0.34) | — | |
| SCHEMBL3216331 | 0.64 | ALDH1A1 (0.30) | — | |
| SCHEMBL852665 | 0.64 | — | — | |
| SCHEMBL2257571 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6548715-B1 | Which lacks the combined presence of the trans-fused ring; increased therapeutic potential; for cell proliferation; veterinary medicine | LABORATOIRE THERAMEX S.A. (MC) | 2003-04-15 | — | — | US | disclosed |
| EP-0707566-B1 | NOVEL STRUCTURAL ANALOGUES OF VITAMIN D | THERAMEX (MC) | 2000-04-12 | — | — | EP | disclosed |
| US-6017907-A | Structural analogues of vitamin D | LABORATOIRE THERAMEX S.A. (MC) | 2000-01-25 | — | — | US | disclosed |
| EP-0972762-A2 | Novel structural analogues of vitamin D | LABORATOIRE THERAMEX (MC) | 2000-01-19 | — | — | EP | disclosed |
| EP-0707566-A1 | NOVEL STRUCTURAL ANALOGUES OF VITAMIN D | LABORATOIRE THERAMEX S.A. (MC) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001960-A1 | NOVEL STRUCTURAL ANALOGUES OF VITAMIN D | LABORATOIRE THERAMEX S.A. (MC) | 1995-01-19 | — | — | WO | disclosed |