⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7159700 | 0.88 | — | — | |
| SCHEMBL7159706 | 0.84 | — | — | |
| SCHEMBL7159708 | 0.83 | — | — | |
| SCHEMBL5517599 | 0.79 | NR3C1 (0.42) | — | |
| SCHEMBL5524937 | 0.65 | NR3C1 (0.56) | — | |
| SCHEMBL5527372 | 0.65 | NR3C1 (0.57) | — | |
| SCHEMBL15427979 | 0.62 | ALDH1A1 (0.48) | — | |
| SCHEMBL1979879 | 0.59 | PARP1 (0.41) | — | |
| SCHEMBL5382727 | 0.59 | NR3C1 (0.45) | — | |
| SCHEMBL12886699 | 0.59 | GABRB3 (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-1490317-A1 | GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003082787-A1 | GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2003-10-09 | — | — | WO | disclosed |