⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7015223 | 0.73 | — | — | |
| SCHEMBL29201456 | 0.73 | — | — | |
| SCHEMBL28931349 | 0.71 | — | — | |
| SCHEMBL17049773 | 0.69 | — | — | |
| SCHEMBL308602 | 0.69 | — | — | |
| SCHEMBL28212311 | 0.67 | — | — | |
| SCHEMBL3748212 | 0.65 | — | — | |
| SCHEMBL514129 | 0.65 | — | — | |
| SCHEMBL13701187 | 0.65 | SHBG (0.32) | — | |
| SCHEMBL16351615 | 0.65 | ALDH1A1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1930112-B | Process for producing 1,2-cis-2-fluorocyclopropane-1carboxylic esters | DAIICHI SEIYAKU CO | 2010-06-23 | — | — | CN | disclosed |
| CN-1930112-A | Process for producing 1,2-cis-2-fluorocyclopropane-1carboxylic ester compound | DAIICHI SEIYAKU CO (JP) | 2007-03-14 | — | — | CN | disclosed |