⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL703026 | 0.93 | TSHR (0.31) | — | |
| Ethane SCHEMBL5834783 | 0.90 | — | — | |
| Ethylene SCHEMBL5834104 | 0.69 | — | — | |
| SCHEMBL5833497 | 0.67 | — | — | |
| SCHEMBL2804394 | 0.65 | TSHR (0.31) | — | |
| SCHEMBL5833586 | 0.63 | TSHR (0.32) | — | |
| Ethylene SCHEMBL5833658 | 0.63 | — | — | |
| SCHEMBL5833314 | 0.63 | TSHR (0.32) | — | |
| Ethylene SCHEMBL5834043 | 0.63 | — | — | |
| SCHEMBL273377 | 0.62 | ALDH1A1 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7005532-B2 | Process of producing alkoxysilanes | TOAGOSEI CO., LTD. (JP) | 2006-02-28 | — | — | US | disclosed |
| US-20050020845-A1 | Process of producing alkoxysilanes | TOAGOSEI CO., LTD. (JP) | 2005-01-27 | — | — | US | disclosed |
| EP-1428828-A1 | PROCESS FOR PREPARATION OF ALKOXYSILANES | TOAGOSEI CO., LTD. (JP) | 2004-06-16 | — | — | EP | disclosed |