⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7196899 | 0.93 | — | — | |
| SCHEMBL7193222 | 0.92 | — | — | |
| SCHEMBL7201706 | 0.86 | — | — | |
| SCHEMBL7197741 | 0.78 | — | — | |
| SCHEMBL7035749 | 0.78 | — | — | |
| SCHEMBL7036203 | 0.74 | BRD4 (0.32) | — | |
| SCHEMBL7034545 | 0.73 | — | — | |
| SCHEMBL7197156 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL6467253 | 0.73 | — | — | |
| SCHEMBL22401709 | 0.72 | BRD4 (0.34) | — |
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 |