⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL1409006 | 0.69 | — | — | |
| Hydrogen Peroxide SCHEMBL11422790 | 0.66 | — | — | |
| SCHEMBL15739022 | 0.65 | — | — | |
| Bicarbonate SCHEMBL7887315 | 0.63 | — | — | |
| Glycolic Acid SCHEMBL8054489 | 0.63 | FFAR3 (0.58) | — | |
| Glycolic Acid SCHEMBL19876947 | 0.63 | — | — | |
| Glycolic Acid SCHEMBL2126630 | 0.63 | — | — | |
| Acetic Acid SCHEMBL8780995 | 0.63 | — | — | |
| SCHEMBL7973761 | 0.63 | — | — | |
| SCHEMBL8356772 | 0.61 | ALDH1A1 (0.54) | — |
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-4537720-A | N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamino)-4-oxo-azetidines and process | ELI LILLY AND COMPANY (US) | 1985-08-27 | — | — | US | disclosed |
| EP-0109816-A1 | N-substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process | ELI LILLY AND COMPANY (US) | 1984-05-30 | — | — | EP | disclosed |
| US-4436596-A | N-Substituted-2-(R)-(sulfinic acid)-3-(S)-(acylamido)-4-oxo-azetidines and process | ELI LILLY AND COMPANY (US) | 1984-03-13 | — | — | US | disclosed |