⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL1224843 | 0.93 | — | — | |
| Butane SCHEMBL20917800 | 0.86 | — | — | |
| Butane SCHEMBL10616978 | 0.86 | — | — | |
| Butane SCHEMBL11661011 | 0.86 | — | — | |
| Butane SCHEMBL2992908 | 0.86 | — | — | |
| Butane SCHEMBL20262953 | 0.86 | — | — | |
| Butane SCHEMBL28095141 | 0.86 | — | — | |
| Butane SCHEMBL8628663 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.84 | — | — | |
| Butane SCHEMBL9292387 | 0.84 | TSHR (0.50) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8470941-B2 | Catalyst for homopolymerizing and copolymerizing propylene and its preparation and use | PETROCHINA COMPANY LIMITED (CN) | 2013-06-25 | — | — | US | disclosed |
| US-20110207900-A1 | CATALYST FOR HOMOPOLYMERIZING AND COPOLYMERIZING PROPYLENE AND ITS PREPARATION AND USE | PETROCHINA COMPANY LIMITED (CN) | 2011-08-25 | — | — | US | disclosed |
| EP-2345675-A1 | A CATALYST FOR HOMOPOLYMERIZING AND COPOLYMERIZING PROPYLENE AND ITS PREPARATION AND USE | Petrochina Company Limited (CN) | 2011-07-20 | — | — | EP | disclosed |