⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4161066 | 0.80 | MGAM (0.31) | — | |
| SCHEMBL5363254 | 0.79 | NR3C1 (0.46) | — | |
| SCHEMBL3682425 | 0.72 | NR3C1 (0.38) | — | |
| SCHEMBL4469875 | 0.71 | NR3C1 (0.35) | — | |
| SCHEMBL4490217 | 0.69 | NR3C1 (0.42) | — | |
| SCHEMBL4470792 | 0.67 | CA1 (0.38) | — | |
| SCHEMBL1492599 | 0.67 | SLC6A2 (0.32) | — | |
| SCHEMBL5355509 | 0.67 | NR3C1 (0.43) | — | |
| SCHEMBL5355518 | 0.67 | NR3C1 (0.43) | — | |
| SCHEMBL4167063 | 0.65 | NR3C1 (0.33) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7579469-B2 | Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-08-25 | — | — | US | disclosed |
| US-7579469-B2 | Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-08-25 | — | — | US | disclosed |
| US-7579469-B2 | Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-08-25 | — | — | US | disclosed |
| EP-1583745-A1 | 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2005-10-12 | — | — | EP | disclosed |
| US-20040162321-A1 | Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. | 2004-08-19 | — | — | US | disclosed |
| WO-2004063163-A1 | 1-PROPANOL AND 1-PROPYLAMINE DERIVATIVES AND THEIR USE AS GLUCOCORTICOID LIGANDS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2004-07-29 | — | — | WO | disclosed |