⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15997526 | 0.78 | — | — | |
| SCHEMBL10786771 | 0.75 | — | — | |
| SCHEMBL22731 | 0.70 | — | — | |
| SCHEMBL1349068 | 0.70 | — | — | |
| SCHEMBL7859046 | 0.70 | — | — | |
| SCHEMBL83837 | 0.70 | — | — | |
| SCHEMBL27387528 | 0.70 | — | — | |
| SCHEMBL7944546 | 0.67 | — | — | |
| SCHEMBL10013263 | 0.67 | — | — | |
| SCHEMBL5523495 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1028989-C | Process for producing haloalkyl alkanoates | SHIONOGI & CO (JP) | 1995-06-21 | — | — | CN | disclosed |
| EP-0406660-B1 | A PROCESS FOR PRODUCING HALOALKYL ALKANOATES | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1993-10-13 | — | — | EP | disclosed |
| CN-1048541-A | Produce the method for haloalkyl alkanoates | SHIONOGI & CO (JP) | 1991-01-16 | — | — | CN | disclosed |
| EP-0406660-A1 | A process for producing haloalkyl alkanoates | SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) | 1991-01-09 | — | — | EP | disclosed |