⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31599238 | 0.85 | TSHR (0.46) | — | |
| SCHEMBL8995402 | 0.83 | ALDH1A1 (0.44) | — | |
| SCHEMBL28469802 | 0.82 | TSHR (0.42) | — | |
| SCHEMBL23701308 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL6743974 | 0.76 | — | — | |
| SCHEMBL704573 | 0.73 | — | — | |
| SCHEMBL6746517 | 0.72 | — | — | |
| SCHEMBL10575370 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL2101321 | 0.72 | — | — | |
| SCHEMBL8995379 | 0.71 | ALDH1A1 (0.44) | — |
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 9 patents. 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 | disclosed |
| EP-0525997-B1 | Catalysts for addition of silicon hydrides to alpha, beta-unsaturated olefinic nitriles | DOW CORNING (US) | 1996-08-21 | — | — | EP | disclosed |
| EP-0618210-A1 | Process for preparation of beta-cyanoalkylsilanes using ruthenium catalyst | DOW CORNING CORPORATION (US) | 1994-10-05 | — | — | EP | disclosed |
| US-5283348-A | Process for preparation of β-cyanoalkylsilanes | DOW CORNING CORPORATION (US) | 1994-02-01 | — | — | US | disclosed |
| EP-0525997-A1 | Catalysts for addition of silicon hydrides to alpha, beta-unsaturated olefinic nitriles | DOW CORNING CORPORATION (US) | 1993-02-03 | — | — | EP | disclosed |
| EP-0520645-A1 | Process for preparation of beta-cyanoalkylsilanes | DOW CORNING CORPORATION (US) | 1992-12-30 | — | — | EP | disclosed |
| US-5126469-A | Supported catalysts for addition of silicon hydrides to α,β-unsaturated olefinic nitriles | DOW CORNING CORPORATION (US) | 1992-06-30 | — | — | US | disclosed |
| US-5126468-A | Diamine and copper or copper compound | DOW CORNING CORPORATION (US) | 1992-06-30 | — | — | US | disclosed |
| US-5103033-A | Catalytic reaction of unsaturated nitriles and silicon hydride | DOW CORNING CORPORATION (US) | 1992-04-07 | — | — | US | disclosed |