⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3589901 | 1.00 | — | — | |
| SCHEMBL3589903 | 1.00 | — | — | |
| SCHEMBL9696562 | 0.89 | — | — | |
| SCHEMBL7104762 | 0.84 | EP300 (0.40) | — | |
| SCHEMBL7104760 | 0.84 | EP300 (0.40) | — | |
| SCHEMBL1361872 | 0.82 | — | — | |
| SCHEMBL9913421 | 0.82 | — | — | |
| SCHEMBL1361870 | 0.82 | — | — | |
| SCHEMBL28071891 | 0.81 | — | — | |
| SCHEMBL3815138 | 0.77 | BACE1 (0.32) | — |
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-8198311-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-12 | — | — | US | disclosed |
| US-8198311-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-06-12 | — | — | US | disclosed |