⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1779875 | 0.65 | — | — | |
| SCHEMBL4836270 | 0.63 | — | — | |
| SCHEMBL1533675 | 0.61 | — | — | |
| SCHEMBL3695649 | 0.58 | — | — | |
| SCHEMBL9468749 | 0.57 | — | — | |
| SCHEMBL1576339 | 0.56 | — | — | |
| SCHEMBL7328700 | 0.55 | — | — | |
| SCHEMBL7770424 | 0.55 | — | — | |
| SCHEMBL6036903 | 0.53 | — | — | |
| SCHEMBL4441326 | 0.53 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2931740-B1 | TESTOSTERONE DERIVATIVES WITH A CARBOXYALKYL SUBSTITUTION IN POSITION 3 AND USE THEREOF FOR THE PRODUCTION OF LABELLED STEROIDS FOR DETERMINING THE CONCENTRATION OF TESTOSTERONE IN A BIOLOGICAL SAMPLE | BIOMERIEUX SA (FR) | 2017-08-23 | — | — | EP | disclosed |