⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4591842 | 0.77 | GABRA1 (0.38) | — | |
| SCHEMBL1164626 | 0.76 | GABRA1 (0.36) | — | |
| SCHEMBL10388524 | 0.75 | GABRA1 (0.37) | — | |
| SCHEMBL249482 | 0.74 | — | — | |
| SCHEMBL5455704 | 0.74 | — | — | |
| SCHEMBL13572315 | 0.74 | — | — | |
| SCHEMBL6036916 | 0.74 | — | — | |
| SCHEMBL4677442 | 0.74 | — | — | |
| SCHEMBL29259237 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL1384841 | 0.72 | GABRA1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8378340-B2 | Aromatic compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-02-19 | — | — | US | disclosed |
| US-20120238765-A1 | AROMATIC COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-09-20 | — | — | US | disclosed |
| US-8222426-B2 | Aromatic compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-07-17 | — | — | US | disclosed |
| US-7842941-B2 | Aromatic compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-11-30 | — | — | US | disclosed |
| US-20100256396-A1 | AROMATIC COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-10-07 | — | — | US | disclosed |
| US-20070063190-A1 | Aromatic compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2007-03-22 | — | — | US | disclosed |