⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28119292 | 0.79 | — | — | |
| SCHEMBL11029466 | 0.79 | — | — | |
| Lithium Ion SCHEMBL12802132 | 0.77 | — | — | |
| SCHEMBL16328304 | 0.75 | — | — | |
| SCHEMBL8597934 | 0.73 | — | — | |
| SCHEMBL10116254 | 0.71 | — | — | |
| SCHEMBL15067176 | 0.69 | — | — | |
| SCHEMBL7759854 | 0.69 | — | — | |
| SCHEMBL15067121 | 0.64 | — | — | |
| SCHEMBL108248 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9809607-B2 | Silylation of aromatic heterocycles by earth abundant transition-metal-free catalysts | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-11-07 | — | — | US | disclosed |
| US-20160046653-A1 | SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2016-02-18 | — | — | US | disclosed |
| EP-1895979-B1 | COSMETICS COMPRISING A MODIFIED ORGANOPOLYSILOXANE | DOW CORNING TORAY CO LTD (JP) | 2014-03-12 | — | — | EP | disclosed |
| EP-0850196-A1 | PROCESS FOR THE PRODUCTION OF ORGANOFUNCTIONALISED AEROGELS | Hoechst Research & Technology Deutschland GmbH & Co. KG (DE) | 1998-07-01 | — | — | EP | disclosed |
| WO-1997010177-A1 | PROCESS FOR THE PRODUCTION OF ORGANOFUNCTIONALISED AEROGELS | HOECHST RESEARCH & TECHNOLOGY DEUTSCHLAND GMBH & CO. KG (DE) | 1997-03-20 | — | — | WO | disclosed |