⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11357371 | 0.89 | — | — | |
| SCHEMBL11351115 | 0.83 | — | — | |
| SCHEMBL11353684 | 0.81 | — | — | |
| SCHEMBL11357204 | 0.81 | — | — | |
| SCHEMBL11357200 | 0.81 | — | — | |
| SCHEMBL11429525 | 0.75 | — | — | |
| SCHEMBL10967405 | 0.72 | — | — | |
| SCHEMBL11405344 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL9201057 | 0.64 | — | — | |
| SCHEMBL11351113 | 0.63 | DUT (0.31) | — |
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-0037080-B1 | 4-(3-CARBOXY-2-OXOPROPYL)-AZETIDINO-2-ONES AND PROCESS FOR THEIR PREPARATION | MERCK & CO. INC. (US) | 1985-03-13 | — | — | EP | disclosed |
| EP-0038869-A1 | Process for the preparation of 1-carbapenems, and intermediates for their preparation | MERCK & CO. INC. (US) | 1981-11-04 | — | — | EP | disclosed |
| EP-0037080-A1 | 4-(3-carboxy-2-oxopropyl)-azetidino-2-ones and process for their preparation | MERCK & CO. INC. (US) | 1981-10-07 | — | — | EP | disclosed |