⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2920434 | 0.67 | HSD17B10 (0.33) | — | |
| SCHEMBL3559518 | 0.65 | CYP1A2 (0.35) | — | |
| SCHEMBL10365189 | 0.62 | — | — | |
| SCHEMBL5001 | 0.62 | HSD17B10 (0.52) | — | |
| SCHEMBL23829686 | 0.61 | — | — | |
| SCHEMBL173508 | 0.61 | HSD17B10 (0.64) | — | |
| SCHEMBL321989 | 0.61 | HSD17B10 (0.64) | — | |
| SCHEMBL6848102 | 0.61 | HSD17B10 (0.64) | — | |
| Tetraxetan SCHEMBL18018 | 0.61 | HSD17B10 (0.64) | — | |
| Tetraxetan SCHEMBL2635294 | 0.61 | HSD17B10 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0390097-B1 | 1 alpha,25-dihydroxyvitamin D4 compounds, ergosta-5,7-diene compounds and processes for the preparation thereof | NISSHIN FLOUR MILLING CO (JP) | 1995-07-05 | — | — | EP | disclosed |
| US-5157135-A | 1α,25-dihydroxyvitamin D4 compounds, ergosta-5,7-diene compounds and processes for the preparation thereof | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1992-10-20 | — | — | US | disclosed |
| EP-0390097-A1 | 1 alpha,25-dihydroxyvitamin D4 compounds, ergosta-5,7-diene compounds and processes for the preparation thereof | NISSHIN FLOUR MILLING CO., LTD. (JP) | 1990-10-03 | — | — | EP | disclosed |