⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3589896 | 0.76 | — | — | |
| SCHEMBL60216 | 0.76 | — | — | |
| SCHEMBL3882554 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28026792 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL4719049 | 0.73 | — | — | |
| Bromide SCHEMBL23306699 | 0.73 | — | — | |
| SCHEMBL28234915 | 0.73 | — | — | |
| SCHEMBL13472091 | 0.73 | — | — | |
| SCHEMBL9227193 | 0.73 | — | — | |
| Bromide SCHEMBL1487603 | 0.73 | TSHR (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100087680-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2010-04-08 | — | — | US | disclosed |
| EP-1914221-A1 | PROCESS FOR PRODUCING BIARYL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2008-04-23 | — | — | EP | disclosed |