⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861666 | 0.69 | — | — | |
| SCHEMBL10036203 | 0.69 | — | — | |
| SCHEMBL6789438 | 0.68 | — | — | |
| SCHEMBL6240960 | 0.64 | — | — | |
| SCHEMBL8203919 | 0.64 | — | — | |
| SCHEMBL13243456 | 0.63 | — | — | |
| SCHEMBL9329903 | 0.62 | — | — | |
| SCHEMBL21624461 | 0.62 | — | — | |
| SCHEMBL9757704 | 0.62 | — | — | |
| SCHEMBL461471 | 0.60 | — | — |
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-0402982-B1 | Adduct-aldehyde and its use for the preparation of a vitamin-D compound | DUPHAR INT RES (NL) | 1994-01-05 | — | — | EP | disclosed |
| US-5110924-A | ADDUCT-ALDEHYDE AND ITS USE FOR THE PREPARATION OF VITAMIN-D COMPOUNDS | DUPHAR INTERNATIONAL RESEARCH B.V. (NL) | 1992-05-05 | — | — | US | disclosed |
| EP-0402982-A1 | Adduct-aldehyde and its use for the preparation of a vitamin-D compound | DUPHAR INTERNATIONAL RESEARCH B.V (NL) | 1990-12-19 | — | — | EP | disclosed |