⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10766413 | 0.88 | CASP1 (0.31) | — | |
| SCHEMBL9526206 | 0.85 | CASP1 (0.33) | — | |
| SCHEMBL9411013 | 0.85 | — | — | |
| SCHEMBL8800467 | 0.85 | — | — | |
| SCHEMBL9525141 | 0.84 | CASP1 (0.34) | — | |
| SCHEMBL8798708 | 0.76 | — | — | |
| SCHEMBL9595347 | 0.75 | CASP1 (0.38) | — | |
| SCHEMBL9526714 | 0.75 | GAA (0.31) | — | |
| SCHEMBL9526109 | 0.74 | ELANE (0.32) | — | |
| SCHEMBL8799191 | 0.74 | ELANE (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0181831-B1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ACYLOXYAZETIDINONES | CIBA-GEIGY AG (CH) | 1993-08-25 | — | — | EP | disclosed |
| EP-0259268-A1 | Process for the preparation of optically active beta-lactams | CIBA-GEIGY AG (CH) | 1988-03-09 | — | — | EP | disclosed |
| EP-0181831-A2 | Process for the preparation of optically active acyloxyazetidinones | CIBA-GEIGY AG (CH) | 1986-05-21 | — | — | EP | disclosed |