⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8395154 | 0.84 | KDM4E (0.34) | — | |
| SCHEMBL31592750 | 0.81 | PDCD4 (0.36) | — | |
| SCHEMBL15816687 | 0.79 | TSHR (0.31) | — | |
| SCHEMBL8392681 | 0.78 | GBA1 (0.41) | — | |
| SCHEMBL8985123 | 0.78 | GBA1 (0.41) | — | |
| SCHEMBL8392577 | 0.76 | NFE2L2 (0.35) | — | |
| SCHEMBL8393593 | 0.76 | PDCD4 (0.32) | — | |
| SCHEMBL10581556 | 0.76 | — | — | |
| SCHEMBL980478 | 0.76 | — | — | |
| SCHEMBL8665317 | 0.75 | NFE2L2 (0.32) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109320505-B | Preparation and application of halogenated butenolide compound with insecticidal activity | 海利尔药业集团股份有限公司 | 2022-08-02 | — | — | CN | disclosed |
| US-20110014504-A1 | LITHIUM SECONDARY BATTERY | MITSUBISHI CHEMICAL CORPORATION (JP) | 2011-01-20 | — | — | US | disclosed |
| US-20080311478-A1 | Lithium Secondary Battery | MITSUBISHI CHEMICAL CORPORATION (JP) | 2008-12-18 | — | — | US | disclosed |
| EP-1892789-A1 | LITHIUM SECONDARY BATTERY | Mitsubishi Chemical Corporation (JP) | 2008-02-27 | — | — | EP | disclosed |
| EP-0761808-B1 | Use of substituted lactones as perfuming agent | HAARMANN & REIMER GMBH (DE) | 1999-05-19 | — | — | EP | disclosed |
| CN-1043346-C | Preparation of tetronsaureallylestern | LONZA AG (CH) | 1999-05-12 | — | — | CN | disclosed |
| EP-0761808-A2 | Use of substituted lactones as perfuming agent | HAARMANN & REIMER GMBH (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5310947-A | Process for the production of tetronic acid alkyl esters | LONZA LTD. (CH) | 1994-05-10 | — | — | US | disclosed |
| CN-1083482-A | The preparation method of tetronic acid (4-hydroxyl etheric acid lactone) alkane ester | LONZA AG (CH) | 1994-03-09 | — | — | CN | disclosed |
| US-5144047-A | PROCESS FOR THE PRODUCTION OF TETRONIC ACID ALKYL ESTERS | LONZA LTD. (CH) | 1992-09-01 | — | — | US | disclosed |