⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19585095 | 0.78 | LDHA (0.53) | — | |
| SCHEMBL8770625 | 0.77 | — | — | |
| SCHEMBL10564205 | 0.74 | KDM4E (0.44) | — | |
| SCHEMBL7759783 | 0.74 | — | — | |
| Malonic Acid SCHEMBL2364720 | 0.74 | FFAR3 (0.77) | — | |
| Malonic Acid SCHEMBL2037328 | 0.74 | FFAR3 (0.77) | — | |
| SCHEMBL6667901 | 0.73 | LDHA (0.47) | — | |
| Malonic Acid SCHEMBL28993583 | 0.70 | LDHA (0.75) | — | |
| Propionic Acid SCHEMBL19409 | 0.69 | FFAR3 (1.00) | — | |
| Propionic Acid SCHEMBL1462509 | 0.69 | FFAR3 (1.00) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0052299-A1 | 2-Oxoazetidine derivatives and production thereof | Takeda Chemical Industries, Ltd. (JP) | 1982-05-26 | — | — | EP | disclosed |