⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2995257 | 0.80 | HSD11B1 (0.32) | — | |
| SCHEMBL2999736 | 0.80 | EPHX2 (0.33) | — | |
| SCHEMBL15722192 | 0.66 | — | — | |
| SCHEMBL15703703 | 0.61 | — | — | |
| SCHEMBL75016 | 0.53 | HSD11B1 (0.37) | — | |
| SCHEMBL12139993 | 0.53 | HSD11B1 (0.35) | — | |
| SCHEMBL2167435 | 0.52 | HSD11B1 (0.41) | — | |
| SCHEMBL21575377 | 0.52 | TSHR (0.30) | — | |
| SCHEMBL21048748 | 0.51 | HSD11B1 (0.50) | — | |
| SCHEMBL16567928 | 0.51 | HSD11B1 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8835426-B2 | Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2014-09-16 | — | — | US | disclosed |
| US-8835426-B2 | Cyclic urea and carbamate inhibitors of 11β-hydroxysteroid dehydrogenase 1 | VITAE PHARMACEUTICALS, INC. (US) | 2014-09-16 | — | — | US | disclosed |
| US-20100197675-A1 | CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. | 2010-08-05 | — | — | US | disclosed |
| US-20100197675-A1 | CYCLIC UREA AND CARBAMATE INHIBITORS OF 11 BETA-HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. | 2010-08-05 | — | — | US | disclosed |
| WO-2008106128-A2 | CYCLIC UREA AND CARBAMATE INHIBITORS OF 11β -HYDROXYSTEROID DEHYDROGENASE 1 | VITAE PHARMACEUTICALS, INC. (US) | 2008-09-04 | — | — | WO | disclosed |