⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27857680 | 0.82 | — | — | |
| SCHEMBL12982406 | 0.80 | — | — | |
| SCHEMBL16327143 | 0.79 | ACLY (0.34) | — | |
| SCHEMBL55762 | 0.77 | — | — | |
| SCHEMBL2137210 | 0.76 | — | — | |
| SCHEMBL12981472 | 0.72 | OXER1 (0.31) | — | |
| SCHEMBL1191524 | 0.72 | — | — | |
| SCHEMBL2282237 | 0.72 | — | — | |
| SCHEMBL5853615 | 0.70 | ACLY (0.41) | — | |
| SCHEMBL5856416 | 0.70 | ACLY (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471252-B | Process for producing (fluoroalkylthio) acetic acid ester | SUMITOMO CHEMICAL CO | 2014-07-02 | — | — | CN | disclosed |
| CN-103709079-A | Process for preparation of (fluoroalkylthio)acetic acid esters | MASAJI HIROTA HIROYUKI MIYAZAKI TADAYOSHI ITOH | 2014-04-09 | — | — | CN | disclosed |
| CN-102471252-A | Process for producing (fluoroalkylthio) acetic acid ester | SUMITOMO CHEMICAL CO | 2012-05-23 | — | — | CN | disclosed |