⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8596886 | 0.91 | ACHE (0.37) | — | |
| SCHEMBL8600120 | 0.91 | ACHE (0.37) | — | |
| SCHEMBL18359032 | 0.82 | ALDH1A1 (0.48) | — | |
| SCHEMBL8897133 | 0.79 | ALDH1A1 (0.30) | — | |
| SCHEMBL354460 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL30380313 | 0.74 | TDP1 (0.40) | — | |
| SCHEMBL15289 | 0.72 | ALDH1A1 (0.33) | — | |
| Methacrylic Acid SCHEMBL9221838 | 0.71 | TSHR (0.32) | — | |
| SCHEMBL6168840 | 0.70 | — | — | |
| SCHEMBL8649054 | 0.70 | FFAR1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0471612-B1 | New steroids having an amide substituted group in the 11-beta position, their preparation, their use as medicines and pharmaceutical composition thereof | ROUSSEL UCLAF (FR) | 1998-01-28 | — | — | EP | disclosed |
| EP-0471612-A2 | New steroids having an amide substituted group in the 11-beta position, their preparation, their use as medicines and pharmaceutical composition thereof | ROUSSEL UCLAF (FR) | 1992-02-19 | — | — | EP | disclosed |