⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7528909 | 0.72 | — | — | |
| SCHEMBL15645149 | 0.60 | — | — | |
| SCHEMBL3397629 | 0.60 | — | — | |
| SCHEMBL380104 | 0.60 | — | — | |
| SCHEMBL27843916 | 0.60 | — | — | |
| SCHEMBL350137 | 0.60 | — | — | |
| SCHEMBL1064651 | 0.60 | — | — | |
| SCHEMBL1650923 | 0.60 | — | — | |
| SCHEMBL1654819 | 0.60 | — | — | |
| SCHEMBL6310945 | 0.59 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0245170-A1 | 19-Nor or 19-nor D-homo steroids substituted at position 11 beta by a phenyl group substituted by an alkynyl group, process for their preparation, their use in medicaments and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1987-11-11 | — | — | EP | claimed |
| EP-0793656-A1 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1997-09-10 | — | — | EP | disclosed |
| WO-1996016046-A2 | NOVEL BENZYL PYRIMIDINES | F. HOFFMANN-LA ROCHE AG (CH) | 1996-05-30 | — | — | WO | disclosed |
| EP-0245170-B1 | 19-NOR OR 19-NOR D-HOMO STEROIDS SUBSTITUTED AT POSITION 11 BETA BY A PHENYL GROUP SUBSTITUTED BY AN ALKYNYL GROUP, PROCESS FOR THEIR PREPARATION, THEIR USE IN MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | ROUSSEL-UCLAF (FR) | 1989-11-29 | — | — | EP | disclosed |
| EP-0245170-A1 | 19-Nor or 19-nor D-homo steroids substituted at position 11 beta by a phenyl group substituted by an alkynyl group, process for their preparation, their use in medicaments and pharmaceutical compositions containing them | ROUSSEL-UCLAF (FR) | 1987-11-11 | — | — | EP | disclosed |