⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL961591 | 0.83 | — | — | |
| SCHEMBL13125952 | 0.81 | CA1 (0.36) | — | |
| SCHEMBL1551749 | 0.71 | — | — | |
| SCHEMBL2355120 | 0.69 | — | — | |
| SCHEMBL10679588 | 0.65 | — | — | |
| SCHEMBL2034698 | 0.65 | — | — | |
| SCHEMBL11489220 | 0.65 | — | — | |
| SCHEMBL511158 | 0.65 | — | — | |
| SCHEMBL6525501 | 0.63 | PTPN1 (0.31) | — | |
| SCHEMBL4282104 | 0.61 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8940920-B2 | Method for preparation of (2-hydroxy-3-oxo-cyclopent-1-enyl)-acetic acid esters | TALLINN UNIVERSITY OF TECHNOLOGY (EE) | 2015-01-27 | — | — | US | disclosed |
| US-20140378698-A1 | Method for preparation of (2-hydroxy-3-oxo-cyclopent-1-enyl)-acetic acid esters | TALLINN UNIVERSITY OF TECHNOLOGY (EE) | 2014-12-25 | — | — | US | disclosed |