⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22910312 | 0.84 | — | — | |
| SCHEMBL2871617 | 0.84 | CYP1A2 (0.70) | — | |
| SCHEMBL4079049 | 0.84 | TSHR (0.48) | — | |
| SCHEMBL13224338 | 0.84 | DGKA (0.48) | — | |
| Hydrochloric Acid SCHEMBL2871614 | 0.82 | CYP1A2 (0.67) | — | |
| SCHEMBL29231823 | 0.81 | DGKA (0.52) | — | |
| SCHEMBL28577945 | 0.81 | CYP1A2 (0.59) | — | |
| SCHEMBL7588093 | 0.80 | CYP1A2 (0.64) | — | |
| SCHEMBL20417368 | 0.80 | CYP1A2 (0.64) | — | |
| SCHEMBL5998486 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7141559-B2 | Glucocorticoid receptor ligands for the treatment of metabolic disorders | KARO BIO AB (SE) | 2006-11-28 | — | — | US | claimed |