⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL367403 | 0.78 | — | — | |
| SCHEMBL43130 | 0.76 | — | — | |
| Ethylene SCHEMBL2495312 | 0.71 | — | — | |
| Formaldehyde SCHEMBL5133811 | 0.71 | — | — | |
| Benzene SCHEMBL28469520 | 0.69 | NPSR1 (0.45) | — | |
| SCHEMBL28904420 | 0.63 | — | — | |
| SCHEMBL168557 | 0.63 | — | — | |
| SCHEMBL43175 | 0.61 | — | — | |
| SCHEMBL11370285 | 0.61 | — | — | |
| SCHEMBL25349955 | 0.60 | TSHR (0.46) | — |
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-4464299-A | Antibacterial carbapenem compounds | SHIONOGI & CO., LTD. (JP) | 1984-08-07 | — | — | US | disclosed |