⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL570266 | 1.00 | — | — | |
| SCHEMBL8526654 | 1.00 | — | — | |
| SCHEMBL5277725 | 0.86 | — | — | |
| SCHEMBL16581341 | 0.81 | — | — | |
| SCHEMBL13428636 | 0.79 | BRD4 (0.38) | — | |
| SCHEMBL16581369 | 0.77 | MEN1 (0.38) | — | |
| SCHEMBL14523839 | 0.77 | MEN1 (0.38) | — | |
| SCHEMBL16581417 | 0.75 | MEN1 (0.37) | — | |
| SCHEMBL16581378 | 0.75 | MEN1 (0.41) | — | |
| SCHEMBL16666800 | 0.75 | MEN1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5856536-A | Preparation of 19-Nor-vitamin D compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1999-01-05 | — | — | US | disclosed |
| US-5616744-A | 19-Nor-vitamin D compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1997-04-01 | — | — | US | disclosed |
| US-5599958-A | Preparation of 19-nor vitamin D compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1997-02-04 | — | — | US | disclosed |
| US-5525745-A | Intermediates in the preparation of 19-nor vitamin D compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1996-06-11 | — | — | US | disclosed |
| US-5488183-A | Acetylenic cyclohexane triol derivatives | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1996-01-30 | — | — | US | disclosed |
| US-5430196-A | Preparation of 19-nor vitamin D compounds | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1995-07-04 | — | — | US | disclosed |