⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7197739 | 0.88 | KDM4E (0.32) | — | |
| SCHEMBL9249191 | 0.81 | ALDH1A1 (0.41) | — | |
| SCHEMBL7197741 | 0.81 | — | — | |
| SCHEMBL7039024 | 0.71 | — | — | |
| SCHEMBL28529430 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL7201471 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL28529022 | 0.65 | ALDH1A1 (0.34) | — | |
| SCHEMBL3965890 | 0.65 | ALDH1A1 (0.42) | — | |
| SCHEMBL28529021 | 0.64 | CA12 (0.33) | — | |
| SCHEMBL8673527 | 0.63 | CYP2A6 (0.42) | — |
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 |