⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14351633 | 1.00 | — | — | |
| SCHEMBL4610676 | 1.00 | — | — | |
| SCHEMBL12216600 | 0.73 | — | — | |
| SCHEMBL270023 | 0.73 | — | — | |
| SCHEMBL1783565 | 0.73 | GAPDH (0.39) | — | |
| SCHEMBL1782458 | 0.73 | — | — | |
| SCHEMBL19957972 | 0.73 | — | — | |
| SCHEMBL1783563 | 0.73 | GAPDH (0.39) | — | |
| SCHEMBL29767377 | 0.69 | AKR1B1 (0.32) | — | |
| SCHEMBL3913617 | 0.69 | ALDH1A1 (0.36) | — |
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-20130006003-A1 | NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES | INSTYTUT FARMACEUTYCZNY (PL) | 2013-01-03 | — | — | US | disclosed |
| EP-2462113-A2 | NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES | Instytut Farmaceutyczny (PL) | 2012-06-13 | — | — | EP | disclosed |
| WO-2011016739-A2 | NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES | INSTYTUT FARMACEUTYCZNY (PL) | 2011-02-10 | — | — | WO | disclosed |