⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7201668 | 0.89 | — | — | |
| SCHEMBL7199073 | 0.87 | — | — | |
| SCHEMBL6911211 | 0.77 | PDCD1 (0.36) | — | |
| SCHEMBL7201116 | 0.77 | — | — | |
| SCHEMBL7036182 | 0.74 | — | — | |
| SCHEMBL7196979 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6461440 | 0.70 | — | — | |
| SCHEMBL7198734 | 0.69 | — | — | |
| SCHEMBL7197156 | 0.68 | — | — | |
| SCHEMBL7197741 | 0.65 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6620953-B1 | Complexing dimethylbis(2-methyl-4,5-benzoindenyl)silane with transition metal compounds such as 2,4-di-tert-butylphenoxide, zirconium monochloride, to form polymerization catalysts | BASSELL POLYOLEFINE GMBH (DE) | 2003-09-16 | — | — | US | disclosed |