⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3063023 | 0.82 | CYP11B2 (0.41) | — | |
| SCHEMBL2241883 | 0.76 | — | — | |
| SCHEMBL1475109 | 0.76 | — | — | |
| SCHEMBL31402416 | 0.76 | — | — | |
| SCHEMBL421693 | 0.73 | — | — | |
| SCHEMBL231933 | 0.73 | — | — | |
| SCHEMBL9458864 | 0.73 | — | — | |
| SCHEMBL25403941 | 0.71 | — | — | |
| SCHEMBL9779706 | 0.71 | — | — | |
| SCHEMBL9443448 | 0.71 | — | — |
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-5200403-A | Inhibition of βlactamase with 6 β-(substituted methyl)-penicillanic acid derivatives | FARMITALIA CARLO ERBA S.R.L. (IT) | 1993-04-06 | — | — | US | disclosed |