⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10464572 | 0.75 | — | — | |
| SCHEMBL10464173 | 0.75 | — | — | |
| SCHEMBL10992633 | 0.72 | KDM1A (0.39) | — | |
| SCHEMBL10657542 | 0.72 | KDM1A (0.39) | — | |
| SCHEMBL10657548 | 0.72 | KDM1A (0.39) | — | |
| SCHEMBL10657533 | 0.72 | KDM1A (0.39) | — | |
| SCHEMBL10463621 | 0.69 | — | — | |
| SCHEMBL15142621 | 0.69 | — | — | |
| SCHEMBL10463710 | 0.69 | — | — | |
| SCHEMBL10736523 | 0.68 | — | — |
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-4948898-A | MICROBIOCIDE DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 1990-08-14 | — | — | US | disclosed |
| US-4652651-A | Process for the manufacture of 1-sulpho-2-oxoazetidine carboxylic acid intermediates via catalytic ester cleavage | HOFFMANN-LA ROCHE INC. (US) | 1987-03-24 | — | — | US | disclosed |
| EP-0096297-A2 | Process for the preparation of 1-sulfo-2-oxoazetidine derivatives | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-12-21 | — | — | EP | disclosed |