⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1875179 | 1.00 | — | — | |
| SCHEMBL13877611 | 1.00 | — | — | |
| SCHEMBL25653101 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL687585 | 0.67 | — | — | |
| SCHEMBL1002858 | 0.67 | — | — | |
| SCHEMBL2362309 | 0.67 | — | — | |
| SCHEMBL29142221 | 0.65 | — | — | |
| SCHEMBL891318 | 0.63 | — | — | |
| SCHEMBL891317 | 0.63 | — | — | |
| SCHEMBL6901039 | 0.63 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1666440-B1 | METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND | SUMITOMO CHEMICAL CO (JP) | 2014-01-22 | — | — | EP | disclosed |
| US-7939674-B2 | Process for producing an aromatic unsaturated compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2011-05-10 | — | — | US | disclosed |
| US-7700642-B2 | Process for producing an aromatic unsaturated compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-04-20 | — | — | US | disclosed |
| US-20090111999-A1 | PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-04-30 | — | — | US | disclosed |
| US-20080221337-A1 | Process for Producing an Aromatic Unsaturated Compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-09-11 | — | — | US | disclosed |
| EP-1666440-A1 | METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2006-06-07 | — | — | EP | disclosed |