⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1138206 | 0.69 | — | — | |
| SCHEMBL294221 | 0.69 | — | — | |
| SCHEMBL424959 | 0.66 | — | — | |
| SCHEMBL27877212 | 0.63 | — | — | |
| SCHEMBL294565 | 0.63 | — | — | |
| SCHEMBL17186679 | 0.63 | — | — | |
| SCHEMBL15991671 | 0.61 | — | — | |
| SCHEMBL486704 | 0.61 | — | — | |
| SCHEMBL9201379 | 0.61 | — | — | |
| SCHEMBL2190289 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7161022-B2 | Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative | FUJIFILM FINECHEMICALS CO., LTD. (JP) | 2007-01-09 | — | — | US | disclosed |
| US-20050176994-A1 | Process for producing 4-phenyl-4-oxo-2-butenoic ester derivative | SANKIO CHEMICAL CO., LTD. (JP) | 2005-08-11 | — | — | US | disclosed |
| EP-1505054-A1 | PROCESS FOR PRODUCING 4-PHENYL-4-OXO-2-BUTENOIC ESTER DERIVATIVE | Sankio Chemical Co., Ltd. (JP) | 2005-02-09 | — | — | EP | disclosed |