⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5391198 | 0.85 | — | — | |
| Trimethylammonium SCHEMBL28192455 | 0.79 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL4443164 | 0.78 | DNM1 (0.30) | — | |
| SCHEMBL39995 | 0.75 | — | — | |
| SCHEMBL15204993 | 0.73 | — | — | |
| SCHEMBL3916049 | 0.71 | — | — | |
| SCHEMBL17870877 | 0.71 | — | — | |
| SCHEMBL3920580 | 0.71 | — | — | |
| Fluoride SCHEMBL27524549 | 0.71 | — | — | |
| SCHEMBL3909902 | 0.71 | — | — |
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-0633265-B1 | Process for preparation of beta-cyanoalkylsilanes | DOW CORNING (US) | 2000-10-25 | — | — | EP | claimed |