⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL297885 | 0.83 | ALDH1A1 (0.67) | — | |
| SCHEMBL29816869 | 0.81 | DGKA (0.57) | — | |
| SCHEMBL504327 | 0.78 | — | — | |
| SCHEMBL216496 | 0.78 | ALDH1A1 (0.60) | — | |
| SCHEMBL450087 | 0.76 | — | — | |
| SCHEMBL10181317 | 0.76 | — | — | |
| SCHEMBL22733777 | 0.76 | ALDH1A1 (0.65) | — | |
| SCHEMBL28296309 | 0.76 | — | — | |
| SCHEMBL11458094 | 0.76 | — | — | |
| SCHEMBL5162448 | 0.75 | ALDH1A1 (0.50) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090306427-A1 | Chemical Functionalization of Carbon Nanotubes | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2009-12-10 | — | — | US | claimed |
| EP-1989143-A1 | CHEMICAL FUNCTIONALIZATION OF CARBON NANOTUBES | National Research Council of Canada (CA) | 2008-11-12 | — | — | EP | claimed |
| WO-2007098578-A1 | CHEMICAL FUNCTIONALIZATION OF CARBON NANOTUBES | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2007-09-07 | — | — | WO | claimed |
| US-7976816-B2 | Method for functionalizating carbon naontubes utilizing peroxides | WILLIAM MARSH RICE UNIVERSITY (US) | 2011-07-12 | — | — | US | disclosed |
| US-20100222536-A1 | Method for Functionalizating Carbon Naontubes Utilizing Peroxides | WILLIAM MARSH RICE UNIVERSITY (US) | 2010-09-02 | — | — | US | disclosed |
| US-7740826-B2 | Method for functionalizing carbon nanotubes utilizing peroxides | WILLIAM MARSH RICE UNIVERSITY (US) | 2010-06-22 | — | — | US | disclosed |
| US-20090306427-A1 | Chemical Functionalization of Carbon Nanotubes | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2009-12-10 | — | — | US | disclosed |
| EP-1989143-A1 | CHEMICAL FUNCTIONALIZATION OF CARBON NANOTUBES | National Research Council of Canada (CA) | 2008-11-12 | — | — | EP | disclosed |
| WO-2007098578-A1 | CHEMICAL FUNCTIONALIZATION OF CARBON NANOTUBES | NATIONAL RESEARCH COUNCIL OF CANADA (CA) | 2007-09-07 | — | — | WO | disclosed |
| US-20070098620-A1 | Method for functionalizing carbon nanotubes utilizing peroxides | WILLIAM MARSH RICE UNIVERSITY (US) | 2007-05-03 | — | — | US | disclosed |
| US-7125533-B2 | decomposing an acyl peroxide to form carbon-centered free radicals and reacting the carbon-centered free radicals with the carbon nanotube to form a functionalized carbon nanotube | WILLIAM MARSH RICE UNIVERSITY (US) | 2006-10-24 | — | — | US | disclosed |
| US-20040223900-A1 | Method for functionalizing carbon nanotubes utilizing peroxides | WILLIAM MARSH RICE UNIVERSITY (US) | 2004-11-11 | — | — | US | disclosed |