⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8764246 | 1.00 | UGT2B7 (0.32) | — | |
| SCHEMBL130488 | 1.00 | — | — | |
| SCHEMBL1464686 | 0.88 | — | — | |
| SCHEMBL7802318 | 0.88 | UGT2B7 (0.31) | — | |
| SCHEMBL10524293 | 0.86 | TP53 (0.41) | — | |
| SCHEMBL2511775 | 0.86 | TP53 (0.41) | — | |
| SCHEMBL15203259 | 0.83 | SHBG (0.35) | — | |
| SCHEMBL8718770 | 0.82 | ALDH1A1 (0.38) | — | |
| SCHEMBL6112257 | 0.82 | — | — | |
| SCHEMBL7586183 | 0.82 | CPN1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7915241-B2 | Reacting a sulfone intermediate, possessing a (5E) or (5Z) configuration with an aldehyde having an (R) or an (S) configuration in the presence of a strong base, in an aprotic solvent; synthetic analog of vitamin D3-calcipotriol, biologically active compound used in medical treatment | INSTYTUT FARMACEUTYCZNY (PL) | 2011-03-29 | — | — | US | disclosed |
| US-20050119241-A1 | Preparation of 24 alkyl analogs of cholecalciferol and non-racemic compounds | INSTYTUT FARMACEUTYCZNY (PL) | 2005-06-02 | — | — | US | disclosed |
| EP-1497264-A2 | PREPARATION OF 24-ALKYL ANALOGS OF CHOLECALCIFEROL AND NON-RACEMIC COMPOUNDS | INSTYTUT FARMACEUTYCZNY (PL) | 2005-01-19 | — | — | EP | disclosed |
| WO-2003087048-A2 | PREPARATION OF 24 ALKYL ANALOGS OF CHOLECALCIFEROL AND NON-RACEMIC COMPOUNDS | INSTYTUT FARMACEUTYCZNY (PL) | 2003-10-23 | — | — | WO | disclosed |