⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL247727 | 0.87 | — | — | |
| SCHEMBL28469362 | 0.84 | — | — | |
| Trimethylammonium SCHEMBL27380585 | 0.79 | — | — | |
| Dimethylamine SCHEMBL7642126 | 0.79 | — | — | |
| SCHEMBL28472276 | 0.77 | — | — | |
| Propene SCHEMBL6002520 | 0.75 | — | — | |
| SCHEMBL7941321 | 0.75 | — | — | |
| Tetrahydrofuran SCHEMBL27341596 | 0.75 | ALDH1A1 (0.40) | — | |
| Propene SCHEMBL27978218 | 0.74 | — | — | |
| Propene SCHEMBL27777670 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1444592-A | Process for preparing transition metal compounds and their use for the polymerization of olefins | BASELL POLYOLEFINE GMBH (DE) | 2003-09-24 | — | — | CN | disclosed |
| US-6174972-B1 | CATALYTIC POLYMERIZATION OF OLEFINS WITH CYCLOPENTADIENE COMPOUNDS | BP CHEMICALS LIMITED (GB) | 2001-01-16 | — | — | US | disclosed |
| EP-0722955-B1 | Process for polymerising olefin | BP CHEM INT LTD (GB) | 1999-01-27 | — | — | EP | disclosed |
| EP-0722955-A1 | Process for polymerising olefin | BP Chemicals Limited (GB) | 1996-07-24 | — | — | EP | disclosed |