⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL390616 | 0.88 | — | — | |
| SCHEMBL8853041 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL2046398 | 0.84 | — | — | |
| SCHEMBL142157 | 0.81 | — | — | |
| SCHEMBL2046477 | 0.80 | — | — | |
| SCHEMBL5952572 | 0.80 | METAP2 (0.31) | — | |
| SCHEMBL2481822 | 0.79 | — | — | |
| SCHEMBL142451 | 0.78 | — | — | |
| SCHEMBL3644683 | 0.78 | SLC22A2 (0.39) | — | |
| SCHEMBL5952147 | 0.77 | CA12 (0.33) | — |
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-7964679-B2 | 1-Butene polymer polymerization catalyst system: a Hf, Ti or Zr metallocene having an indene ring and a fluorene ring bridged by a silane group; an alumoxane or a compound that forms an alkyl metallocene cation; and an organoaluminum compound; (2,4,6-trimethylindenyl)(9-fluorenyl)dimethylsilane | BASELL POLIOLEFINE ITALIA S.R.L. (IT) | 2011-06-21 | — | — | US | disclosed |
| US-20080269439-A1 | Process for the Polymerization of Alpha Olefins | BASELL POLYOLEFINE GMBH (DE) | 2008-10-30 | — | — | US | disclosed |