⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4275078 | 0.75 | CA1 (0.36) | — | |
| SCHEMBL910910 | 0.75 | — | — | |
| SCHEMBL4941707 | 0.68 | — | — | |
| SCHEMBL2692834 | 0.64 | — | — | |
| SCHEMBL873396 | 0.64 | — | — | |
| SCHEMBL16657577 | 0.64 | — | — | |
| SCHEMBL10539052 | 0.62 | — | — | |
| SCHEMBL1052060 | 0.62 | — | — | |
| SCHEMBL2379897 | 0.61 | — | — | |
| SCHEMBL17581107 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3204159-A1 | PROCESS FOR PREPARING SPHERICAL POLYMERIZATION CATALYST COMPONENTS FOR USE IN OLEFIN POLYMERIZATIONS | W.R. Grace & CO. - CONN. (US) | 2017-08-16 | — | — | EP | disclosed |
| WO-2016057634-A1 | PROCESS FOR PREPARING SPHERICAL POLYMERIZATION CATALYST COMPONENTS FOR USE IN OLEFIN POLYMERIZATIONS | BASF CORPORATION (US) | 2016-04-14 | — | — | WO | disclosed |