⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL319741 | 0.87 | MAPK1 (0.31) | — | |
| SCHEMBL734011 | 0.85 | — | — | |
| SCHEMBL731627 | 0.84 | MAPK1 (0.32) | — | |
| SCHEMBL734468 | 0.81 | — | — | |
| SCHEMBL320162 | 0.74 | MAPK1 (0.33) | — | |
| SCHEMBL734170 | 0.72 | — | — | |
| SCHEMBL17668996 | 0.71 | — | — | |
| SCHEMBL28733029 | 0.71 | — | — | |
| SCHEMBL612549 | 0.70 | — | — | |
| SCHEMBL16047098 | 0.70 | — | — |
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-1428829-B1 | PROCESS FOR PREPARATION OF THIOCYANATO-BEARING ORGANOALKOXYSILANES | DOW CORNING TORAY CO LTD (JP) | 2009-02-18 | — | — | EP | disclosed |