⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4962965 | 0.72 | ALDH1A1 (0.53) | — | |
| SCHEMBL13702439 | 0.72 | — | — | |
| SCHEMBL12073 | 0.72 | — | — | |
| SCHEMBL31156338 | 0.72 | — | — | |
| SCHEMBL3632970 | 0.72 | — | — | |
| SCHEMBL16024978 | 0.72 | — | — | |
| SCHEMBL2622446 | 0.69 | — | — | |
| SCHEMBL3506045 | 0.69 | — | — | |
| SCHEMBL25886288 | 0.69 | — | — | |
| SCHEMBL19407065 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5302711-A | Ester cleavage process for use with β-lactams | ELI LILLY AND COMPANY (US) | 1994-04-12 | — | — | US | disclosed |
| EP-0557035-A2 | An ester cleavage process for use with beta-lactams | ELI LILLY AND COMPANY (US) | 1993-08-25 | — | — | EP | disclosed |