⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24436678 | 1.00 | — | — | |
| SCHEMBL24436679 | 1.00 | — | — | |
| SCHEMBL22197976 | 1.00 | — | — | |
| SCHEMBL22049959 | 0.76 | — | — | |
| SCHEMBL18309366 | 0.76 | — | — | |
| SCHEMBL18972297 | 0.76 | — | — | |
| SCHEMBL27844216 | 0.69 | — | — | |
| SCHEMBL28446748 | 0.69 | — | — | |
| SCHEMBL26976339 | 0.66 | — | — | |
| SCHEMBL15520286 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7332312-B2 | Polynucleotide encoding a polypeptide having activity in asymmetrically reducing 2-chloro-1-(3'-chlorophenyl)ethanone, for producing optically active 3-hydroxy ester derivatives | KANEKA CORPORATION (JP) | 2008-02-19 | — | — | US | disclosed |
| US-20060046289-A1 | Novel carbonyl reductase, gene thereof and use of the same | KANEKA CORPORATION (JP) | 2006-03-02 | — | — | US | disclosed |