⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL347821 | 0.79 | — | — | |
| SCHEMBL229980 | 0.74 | — | — | |
| SCHEMBL17882161 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL6471729 | 0.70 | — | — | |
| SCHEMBL2098963 | 0.67 | — | — | |
| SCHEMBL1920506 | 0.67 | — | — | |
| SCHEMBL9254254 | 0.67 | — | — | |
| SCHEMBL10490065 | 0.67 | — | — | |
| SCHEMBL6548267 | 0.67 | — | — | |
| SCHEMBL5971907 | 0.67 | — | — |
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-8198263-B2 | Vitamin D derivatives active on the vitamin D nuclear receptor, preparation and uses thereof | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2012-06-12 | — | — | US | disclosed |
| US-20090131378-A1 | VITAMIN D DERIVATIVES ACTIVE ON THE VITAMIN D NUCLEAR RECEPTOR, PREPARATION AND USES THEREOF | CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) | 2009-05-21 | — | — | US | disclosed |
| US-4933510-A | Propanol derivatives | SYMBICOM AKTIEBOLAG (SE) | 1990-06-12 | — | — | US | disclosed |
| CN-86100170-A | The preparation method of propanol derivative | — | 1986-12-17 | — | — | CN | disclosed |