⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13810675 | 0.72 | — | — | |
| SCHEMBL828186 | 0.72 | — | — | |
| SCHEMBL828187 | 0.72 | — | — | |
| SCHEMBL21232973 | 0.70 | — | — | |
| SCHEMBL71390 | 0.53 | — | — | |
| SCHEMBL16050922 | 0.53 | — | — | |
| Water SCHEMBL20545911 | 0.52 | — | — | |
| SCHEMBL1573092 | 0.52 | — | — | |
| SCHEMBL1998724 | 0.51 | — | — | |
| SCHEMBL22337597 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7741361-B2 | Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2010-06-22 | — | — | US | disclosed |
| US-7635711-B2 | Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof | BOEHRINGER-INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-12-22 | — | — | US | disclosed |