⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13680422 | 1.00 | — | — | |
| SCHEMBL3852394 | 1.00 | — | — | |
| SCHEMBL28990851 | 0.94 | CYP1A2 (0.46) | — | |
| SCHEMBL28738568 | 0.92 | ALDH1A1 (0.47) | — | |
| SCHEMBL8045560 | 0.92 | ALDH1A1 (0.47) | — | |
| SCHEMBL28738567 | 0.92 | ALDH1A1 (0.47) | — | |
| SCHEMBL13177714 | 0.92 | ALDH1A1 (0.47) | — | |
| SCHEMBL28858956 | 0.92 | ALDH1A1 (0.47) | — | |
| SCHEMBL28212832 | 0.92 | ALDH1A1 (0.47) | — | |
| SCHEMBL28213338 | 0.92 | ALDH1A1 (0.47) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7582469-B2 | reacting racemic 3-Butyl-oxetan-2-one with an alcohol in presence of a lipase from Candida antarctica or Burkholderia plantarii, separating the resultant product of enantiopure 3-hydroxy carboxylic acids or esters and enatiopure 3-butyl-oxetan-2-one, by distillation, extraction or a combination | BASF SE (DE) | 2009-09-01 | — | — | US | disclosed |
| US-7582469-B2 | reacting racemic 3-Butyl-oxetan-2-one with an alcohol in presence of a lipase from Candida antarctica or Burkholderia plantarii, separating the resultant product of enantiopure 3-hydroxy carboxylic acids or esters and enatiopure 3-butyl-oxetan-2-one, by distillation, extraction or a combination | BASF SE (DE) | 2009-09-01 | — | — | US | disclosed |
| US-20080311633-A1 | Plasmid Vectors For Transformation of Filamentous Fungi | BASF AKTIENGESELLSCHAFT (DE) | 2008-12-18 | — | — | US | disclosed |
| US-20080311633-A1 | Plasmid Vectors For Transformation of Filamentous Fungi | BASF AKTIENGESELLSCHAFT (DE) | 2008-12-18 | — | — | US | disclosed |
| EP-1805314-B1 | PROCESS FOR THE ENANTIOSELECTIVE OPENING OF 3-SUBSTITUTED OXETAN-2-ONES EMPLOYING LIPASES OF CANDIDA ANTARCTICA OR OF BURKHOLDERIA PLANTARRII | BASF AG (DE) | 2008-02-13 | — | — | EP | disclosed |