⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28067764 | 0.72 | — | — | |
| SCHEMBL28067733 | 0.71 | HSD11B1 (0.38) | — | |
| SCHEMBL7370651 | 0.70 | GRIN2D (0.41) | — | |
| Ethylene SCHEMBL1045496 | 0.62 | EPHX2 (0.39) | — | |
| Ethylene SCHEMBL1045497 | 0.62 | EPHX2 (0.39) | — | |
| Ethylene SCHEMBL1046573 | 0.62 | EPHX2 (0.39) | — | |
| SCHEMBL12424284 | 0.53 | GRIN2D (0.36) | — | |
| SCHEMBL28067737 | 0.52 | HSD11B1 (0.41) | — | |
| SCHEMBL7965513 | 0.50 | GRM2 (0.40) | — | |
| SCHEMBL2450615 | 0.50 | HSD11B1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103242192-B | The inhibitor of 11-beta-hydroxysteroid dehydrogenase 1 type enzyme | ABBVIE INC. (US) | 2016-05-04 | — | — | CN | disclosed |