⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3970831 | 0.79 | KDM4E (0.33) | — | |
| SCHEMBL3973658 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL3974680 | 0.67 | — | — | |
| SCHEMBL4191636 | 0.67 | KDM4E (0.35) | — | |
| SCHEMBL3968506 | 0.67 | — | — | |
| SCHEMBL3969182 | 0.65 | BACE1 (0.34) | — | |
| SCHEMBL3968216 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL3968948 | 0.64 | KDM4E (0.33) | — | |
| SCHEMBL3970496 | 0.62 | KDM4E (0.33) | — | |
| SCHEMBL3972388 | 0.62 | KDM4E (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7595317-B2 | Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-29 | — | — | US | disclosed |
| US-7294624-B2 | Osteoporosis; antiarthritic agents | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-11-13 | — | — | US | disclosed |
| US-20070167451-A1 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | DUAN JINGWU | 2007-07-19 | — | — | US | disclosed |