⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6461860 | 0.69 | — | — | |
| SCHEMBL6455046 | 0.63 | — | — | |
| SCHEMBL6136797 | 0.58 | — | — | |
| SCHEMBL12335752 | 0.54 | NQO1 (0.41) | — | |
| SCHEMBL11928939 | 0.49 | NQO1 (0.48) | — | |
| SCHEMBL5039621 | 0.49 | NQO1 (0.47) | — | |
| SCHEMBL182910 | 0.46 | — | — | |
| SCHEMBL15918971 | 0.46 | CA1 (0.43) | — | |
| SCHEMBL9586 | 0.46 | — | — | |
| SCHEMBL18876371 | 0.45 | NQO1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1053263-B1 | CATALYST SYSTEM | BASELL POLYOLEFINE GMBH (DE) | 2003-10-01 | — | — | EP | claimed |
| US-6949614-B1 | Catalyst system | BASELL POLYOLEFINE GMBH (DE) | 2005-09-27 | — | — | US | disclosed |
| EP-1290002-B1 | 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) | 2004-01-21 | — | — | EP | disclosed |