⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL582057 | 0.89 | — | — | |
| Carbon Monoxide SCHEMBL6552565 | 0.73 | TSHR (0.32) | — | |
| SCHEMBL3344252 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL5692933 | 0.62 | — | — | |
| Carbon Monoxide SCHEMBL2844193 | 0.62 | — | — | |
| Allyl Alcohol SCHEMBL7495069 | 0.62 | — | — | |
| Carbon Monoxide SCHEMBL10766248 | 0.62 | TSHR (0.31) | — | |
| Carbon Monoxide SCHEMBL2842408 | 0.62 | TSHR (0.31) | — | |
| Carbon Monoxide SCHEMBL9016270 | 0.62 | — | — | |
| Carbon Monoxide SCHEMBL934412 | 0.62 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1094068-B1 | Silylation of hydroxyl group-containing compounds | SHINETSU CHEMICAL CO (JP) | 2004-12-15 | — | — | EP | claimed |
| EP-1094068-B1 | Silylation of hydroxyl group-containing compounds | SHINETSU CHEMICAL CO (JP) | 2004-12-15 | — | — | EP | disclosed |
| US-6239303-B1 | USING RUTHENIUM COMPLEX CATALYST | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2001-05-29 | — | — | US | disclosed |
| EP-1094068-A2 | Silylation of hydroxyl group-containing compound | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2001-04-25 | — | — | EP | disclosed |
| US-4595701-A | Reacting carbon monoxide and hydrogen in liquid phase in the presence of a rhodium and trialkylphosphine catalyst | AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) | 1986-06-17 | — | — | US | disclosed |