⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12464760 | 0.86 | — | — | |
| SCHEMBL17340160 | 0.86 | — | — | |
| SCHEMBL17340156 | 0.85 | — | — | |
| SCHEMBL12464754 | 0.85 | — | — | |
| SCHEMBL14389718 | 0.79 | — | — | |
| SCHEMBL17340164 | 0.78 | — | — | |
| SCHEMBL12464967 | 0.78 | — | — | |
| SCHEMBL17340133 | 0.78 | ESR2 (0.32) | — | |
| SCHEMBL12464753 | 0.78 | ESR2 (0.32) | — | |
| SCHEMBL12085824 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8575136-B2 | 2-methylene-1α-hydroxy-18,19,21-trinorvitamin D3 analogs and uses thereof | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 2013-11-05 | — | — | US | disclosed |
| US-20070238701-A1 | 2-Methylene-1alpha-Hydroxy-18,19,21-Trinorvitamin D3 Analogs and Uses Thereof | WISCONSIN ALUMNI RESEARCH FOUNDATION | 2007-10-11 | — | — | US | disclosed |