⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4639521 | 0.73 | — | — | |
| SCHEMBL5948828 | 0.72 | — | — | |
| SCHEMBL5949213 | 0.69 | — | — | |
| SCHEMBL5487311 | 0.63 | — | — | |
| SCHEMBL5948481 | 0.63 | — | — | |
| SCHEMBL9419595 | 0.60 | — | — | |
| SCHEMBL7200048 | 0.52 | — | — | |
| SCHEMBL5854328 | 0.51 | — | — | |
| SCHEMBL4838066 | 0.51 | — | — | |
| SCHEMBL2711818 | 0.48 | PDK2 (0.38) | — |
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-7034173-B2 | Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2006-04-25 | — | — | US | disclosed |
| US-20030144434-A1 | Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-07-31 | — | — | US | disclosed |