⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11499881 | 0.75 | — | — | |
| SCHEMBL252660 | 0.75 | — | — | |
| SCHEMBL4249191 | 0.75 | — | — | |
| SCHEMBL8958908 | 0.71 | — | — | |
| SCHEMBL11065513 | 0.71 | — | — | |
| Calcium SCHEMBL2879645 | 0.69 | LPAR3 (0.31) | — | |
| SCHEMBL170504 | 0.67 | — | — | |
| SCHEMBL10453535 | 0.63 | — | — | |
| SCHEMBL1895910 | 0.63 | — | — | |
| SCHEMBL459305 | 0.63 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0025270-B1 | PROCESS FOR THE PRODUCTION OF BRANCHED S-ALKYL PHOSPHONODITHIOIC HALIDE INTERMEDIATES | RHONE-POULENC AGROCHIMIE (FR) | 1984-07-25 | — | — | EP | disclosed |