⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1821966 | 1.00 | — | — | |
| SCHEMBL107163 | 1.00 | — | — | |
| SCHEMBL11130026 | 0.92 | CES2 (0.58) | — | |
| SCHEMBL1022554 | 0.92 | CES2 (0.58) | — | |
| SCHEMBL5708415 | 0.90 | CES2 (0.61) | — | |
| SCHEMBL3108046 | 0.90 | CES2 (0.61) | — | |
| SCHEMBL17504241 | 0.90 | CES2 (0.61) | — | |
| SCHEMBL9813357 | 0.90 | CES2 (0.61) | — | |
| SCHEMBL3108058 | 0.90 | CES2 (0.61) | — | |
| SCHEMBL7113695 | 0.90 | CES2 (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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112679325-B | Preparation method of longicorn sex pheromone 2, 3-diketone series compounds and derivatives thereof | 华南农业大学 | 2022-09-30 | — | — | CN | disclosed |
| CN-112679325-A | Preparation method of longicorn sex pheromone 2, 3-diketone series compounds and derivatives thereof | 华南农业大学 | 2021-04-20 | — | — | CN | disclosed |
| EP-2316926-B1 | Enantioselective production of alpha-hydroxy carbonyl compounds | UNIV BONN (DE) | 2016-04-13 | — | — | EP | disclosed |
| EP-2316926-A1 | Enantioselective production of alpha-hydroxy carbonyl compounds | Rheinische Friedrich-Wilhelms-Universität Bonn (DE) | 2011-05-04 | — | — | EP | disclosed |
| EP-0409234-B1 | Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions | CHISSO CORP (JP) | 1994-02-16 | — | — | EP | disclosed |
| US-5164112-A | Optical activity, ferroelectric, short response times | CHISSO CORPORATION (JP) | 1992-11-17 | — | — | US | disclosed |
| EP-0409234-A2 | Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions | Chisso Corporation (JP) | 1991-01-23 | — | — | EP | disclosed |