⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10882332 | 1.00 | TP53 (0.42) | — | |
| SCHEMBL31424475 | 1.00 | — | — | |
| SCHEMBL2246490 | 1.00 | — | — | |
| SCHEMBL11694590 | 0.89 | SHBG (0.46) | — | |
| SCHEMBL1868088 | 0.88 | — | — | |
| SCHEMBL4349330 | 0.88 | — | — | |
| SCHEMBL8378711 | 0.87 | TP53 (0.39) | — | |
| SCHEMBL409112 | 0.85 | TP53 (0.61) | — | |
| SCHEMBL11062825 | 0.85 | TP53 (0.61) | — | |
| SCHEMBL11409900 | 0.85 | TP53 (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050119241-A1 | Preparation of 24 alkyl analogs of cholecalciferol and non-racemic compounds | INSTYTUT FARMACEUTYCZNY (PL) | 2005-06-02 | — | — | US | claimed |
| 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 |