⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14775240 | 0.69 | — | — | |
| SCHEMBL399868 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL5078358 | 0.65 | — | — | |
| SCHEMBL3149693 | 0.64 | — | — | |
| SCHEMBL17698539 | 0.60 | — | — | |
| SCHEMBL17698626 | 0.60 | — | — | |
| SCHEMBL6904716 | 0.59 | — | — | |
| SCHEMBL17698594 | 0.59 | LMNA (0.30) | — | |
| SCHEMBL3269710 | 0.56 | — | — | |
| SCHEMBL9123321 | 0.55 | — | — |
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-7879960-B2 | methyl)(phenyl)methylene(3-tert-butyl-5-ethylcyclopentadienyl)(3,6-di-tert-butylfluorenyl)zirconium dichloride a metallocene], methylalumoxane, triisobutylaluminum containing catalyst system for propylene homo or copolymerization | MITSUI CHEMICALS, INC. (JP) | 2011-02-01 | — | — | US | disclosed |
| US-20080097055-A1 | Process for Producing Propylene Polymer | MITSUI CHEMICALS, INC. (JP) | 2008-04-24 | — | — | US | disclosed |