⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15518321 | 0.55 | — | — | |
| Hydrochloric Acid SCHEMBL11629695 | 0.52 | — | — | |
| SCHEMBL806837 | 0.41 | ENPP2 (0.47) | — | |
| SCHEMBL5146923 | 0.39 | — | — | |
| Boric Acid SCHEMBL31467117 | 0.36 | LMNA (0.67) | — | |
| SCHEMBL2988232 | 0.36 | — | — | |
| Boric Acid SCHEMBL6278097 | 0.34 | — | — | |
| Benzene SCHEMBL19579529 | 0.34 | TSHR (0.57) | — | |
| SCHEMBL8085852 | 0.34 | — | — | |
| Boric Acid SCHEMBL2793475 | 0.34 | LMNA (1.00) | — |
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 |