⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL164680 | 1.00 | — | — | |
| SCHEMBL28176230 | 1.00 | — | — | |
| SCHEMBL2362380 | 0.82 | GRIK1 (0.36) | — | |
| SCHEMBL2362374 | 0.82 | GRIK1 (0.36) | — | |
| SCHEMBL1486834 | 0.82 | FFAR3 (0.38) | — | |
| SCHEMBL1099875 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL454676 | 0.81 | GRIK1 (0.40) | — | |
| SCHEMBL27607758 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL8345924 | 0.78 | — | — | |
| SCHEMBL16047210 | 0.78 | — | — |
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-20160151322-A1 | METALLO-B-LACTAMASE INHIBITORS | MEIJI SEIKA KAISHA (JP) | 2016-06-02 | — | — | US | disclosed |
| US-9260375-B2 | Metallo-β-lactamase inhibitors | MEIJI SEIKA KAISHA, LTD. (JP) | 2016-02-16 | — | — | US | disclosed |
| US-20120071457-A1 | METALLO-BETA-LACTAMASE INHIBITORS | CHIKAUCHI KEN (JP) | 2012-03-22 | — | — | US | disclosed |