⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5973112 | 0.79 | TRPA1 (0.30) | — | |
| SCHEMBL5979923 | 0.79 | PPARG (0.37) | — | |
| SCHEMBL6615169 | 0.79 | — | — | |
| SCHEMBL4729097 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL7277057 | 0.76 | — | — | |
| SCHEMBL11086988 | 0.74 | — | — | |
| SCHEMBL17111856 | 0.74 | RXRA (0.41) | — | |
| SCHEMBL507894 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL7262932 | 0.73 | — | — | |
| SCHEMBL2298491 | 0.73 | ESR1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1227721-B1 | NOVEL SUBSTITUTED SUCCINIC ACID METALLO-BETA-LACTAMASE INHIBITORS AND THEIR USE IN TREATING BACTERIAL INFECTIONS | MERCK & CO INC (US) | 2007-04-04 | — | — | EP | disclosed |
| US-20030207859-A1 | Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections | BALKOVEC JAMES M (US) | 2003-11-06 | — | — | US | disclosed |
| US-6630510-B1 | Together with a beta-lactam antibiotic | MERCK & CO., INC. | 2003-10-07 | — | — | US | disclosed |
| US-20030078418-A1 | Novel substituted succinic acid metallo-beta-lactamase inhibitors and their use in treating bacterial infections | BALKOVEC JAMES M (US) | 2003-04-24 | — | — | US | disclosed |