⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17892840 | 0.83 | — | — | |
| SCHEMBL28678919 | 0.75 | L3MBTL1 (0.31) | — | |
| SCHEMBL8402007 | 0.73 | — | — | |
| SCHEMBL2270519 | 0.67 | MAPT (0.30) | — | |
| SCHEMBL8052455 | 0.67 | SLC6A4 (0.33) | — | |
| SCHEMBL19337533 | 0.65 | — | — | |
| SCHEMBL4451764 | 0.65 | — | — | |
| SCHEMBL8050141 | 0.64 | — | — | |
| SCHEMBL2703580 | 0.64 | MEN1 (0.33) | — | |
| SCHEMBL23829949 | 0.64 | MAPT (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 |
|---|---|---|---|---|---|---|---|
| EP-2516479-A2 | NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS | BASF Corporation (US) | 2012-10-31 | — | — | EP | disclosed |
| WO-2011084691-A2 | NEW INTERNAL AND EXTERNAL DONOR COMPOUNDS FOR OLEFIN POLYMERIZATION CATALYSTS | BASF CORPORATION (US) | 2011-07-14 | — | — | WO | disclosed |