⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27260660 | 1.00 | — | — | |
| SCHEMBL27654688 | 1.00 | — | — | |
| SCHEMBL28007744 | 0.88 | CACNA2D1 (0.38) | — | |
| SCHEMBL45197 | 0.83 | — | — | |
| SCHEMBL619735 | 0.83 | SLC22A6 (0.47) | — | |
| SCHEMBL5144811 | 0.80 | SLC22A6 (0.45) | — | |
| SCHEMBL5165804 | 0.80 | SLC22A6 (0.45) | — | |
| SCHEMBL5905658 | 0.80 | SLC22A6 (0.45) | — | |
| SCHEMBL1100230 | 0.80 | SLC22A6 (0.45) | — | |
| SCHEMBL5144412 | 0.80 | SLC22A6 (0.45) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3228830-A | — | — | None | — | — | JP | disclosed |
| CN-114789055-A | Preparation method and application of supported ferroferric oxide catalyst | 浙江科技学院 | 2022-07-26 | — | — | CN | disclosed |
| EP-0967271-B1 | NOVEL CARBONYL REDUCTASE, GENE THAT ENCODES THE SAME, AND METHOD OF UTILIZING THESE | KANEKA CORP (JP) | 2004-10-20 | — | — | EP | disclosed |
| US-6448052-B2 | TO CONVERT ETHYL 4-CHLOROACETOACETATE USING NADPH AS A COENZYME TO PRODUCE ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE; SUBSTRATE SPECIFICITY, NO ACTIVITY TO ETHYL ACETOACETATE, SPECIFIED OPTIMAL PH AND TEMPERATURE; ENZYME FROM CANDIDA | KANEKA CORPORATION (JP) | 2002-09-10 | — | — | US | disclosed |
| US-20020006651-A1 | Carbonyl reductase enzyme and methods for its use | KANEKA CORPORATION | 2002-01-17 | — | — | US | disclosed |
| US-6218156-B1 | DNA WHICH CODES FOR ENZYME THAT CONVERTS ETHYL 4-CHLOROACETOACETATE TO ETHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE; FOR OPTICALLY ACTIVE ALCOHOLS USED AS RAW MATERIALS IN DRUG AND AGRICULTURAL CHEMICAL PRODUCTION | KANEKA CORPORATION (JP) | 2001-04-17 | — | — | US | disclosed |
| EP-0967271-A1 | NOVEL CARBONYL REDUCTASE, GENE THAT ENCODES THE SAME, AND METHOD OF UTILIZING THESE | KANEKA CORPORATION (JP) | 1999-12-29 | — | — | EP | disclosed |
| JP-H03228830-A | METHOD FOR RECOVERYING COBALT COMPOUND | KYOWA YUKA KK | 1991-10-09 | — | — | JP | disclosed |