⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4405639 | 0.90 | — | — | |
| SCHEMBL3675811 | 0.88 | NR3C1 (0.31) | — | |
| SCHEMBL3673706 | 0.84 | ALDH1A1 (0.31) | — | |
| SCHEMBL3679401 | 0.81 | PDE4B (0.33) | — | |
| SCHEMBL3676188 | 0.75 | ALDH1A1 (0.30) | — | |
| SCHEMBL3684932 | 0.75 | CA1 (0.34) | — | |
| SCHEMBL3689193 | 0.75 | — | — | |
| SCHEMBL3678867 | 0.74 | — | — | |
| SCHEMBL3672934 | 0.72 | PTGS2 (0.33) | — | |
| SCHEMBL5086977 | 0.72 | ACHE (0.31) | — |
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-7851569-B2 | Rare earth metal complex, polymerization catalyst, and process for producing polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2010-12-14 | — | — | US | disclosed |
| US-20090253875-A1 | RARE EARTH METAL COMPLEX, POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYMER | SUMITOMO CHEMICAL COMPANY, LIMITED | 2009-10-08 | — | — | US | disclosed |