⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21301620 | 0.75 | CYP3A4 (0.34) | — | |
| SCHEMBL19742827 | 0.74 | — | — | |
| SCHEMBL21228312 | 0.74 | CYP2C19 (0.39) | — | |
| SCHEMBL20282754 | 0.74 | CYP2C19 (0.39) | — | |
| SCHEMBL17619955 | 0.72 | CA1 (0.33) | — | |
| SCHEMBL27688981 | 0.72 | — | — | |
| SCHEMBL21228650 | 0.69 | CYP2C19 (0.30) | — | |
| SCHEMBL19509795 | 0.69 | — | — | |
| SCHEMBL777923 | 0.69 | CYP2C19 (0.33) | — | |
| SCHEMBL15987072 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8524935-B2 | Method for preparing fluoroalkanesulphinic acid esters | RHODIA OPERATIONS (FR) | 2013-09-03 | — | — | US | claimed |
| CN-102414173-B | Method for preparing fluoroalkanesulphinic acid esters | RHODIA OPERATIONS | 2014-01-01 | — | — | CN | disclosed |
| US-8524935-B2 | Method for preparing fluoroalkanesulphinic acid esters | RHODIA OPERATIONS (FR) | 2013-09-03 | — | — | US | disclosed |
| US-20120108836-A1 | METHOD FOR PREPARING FLUOROALKANESULPHINIC ACID ESTERS | RHODIA OPERATIONS (FR) | 2012-05-03 | — | — | US | disclosed |
| CN-102414173-A | Preparation method of fluoroalkanesulfonate | RHODIA OPERATIONS | 2012-04-11 | — | — | CN | disclosed |