⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21283635 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL229400 | 0.59 | — | — | |
| SCHEMBL1518 | 0.59 | — | — | |
| SCHEMBL22974 | 0.59 | — | — | |
| SCHEMBL14953954 | 0.59 | — | — | |
| SCHEMBL12377629 | 0.59 | — | — | |
| SCHEMBL14244956 | 0.57 | — | — | |
| SCHEMBL2879805 | 0.56 | — | — | |
| SCHEMBL686973 | 0.56 | — | — | |
| SCHEMBL377192 | 0.56 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116655686-A | Synthesis method and application of pentavalent and trivalent tridentate phosphine ligand | 广东欧凯新材料有限公司 | 2023-08-29 | — | — | CN | disclosed |
| US-8153794-B2 | Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2012-04-10 | — | — | US | disclosed |
| US-20090054650-A1 | Novel Catalysts Useful for Catalyzing the Coupling of Arylhalides with Arylboronic Acids | IONKIN ALEX SERGEY | 2009-02-26 | — | — | US | disclosed |
| US-7449601-B2 | Catalysts useful for catalyzing the coupling of arylhalides with arylboronic acids | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2008-11-11 | — | — | US | disclosed |