⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8619911 | 0.75 | — | — | |
| SCHEMBL17581119 | 0.53 | — | — | |
| SCHEMBL14754529 | 0.48 | — | — | |
| SCHEMBL11277497 | 0.46 | — | — | |
| SCHEMBL895221 | 0.46 | — | — | |
| SCHEMBL1468768 | 0.45 | — | — | |
| SCHEMBL15484139 | 0.43 | — | — | |
| P-Xylene SCHEMBL460348 | 0.43 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL11772917 | 0.43 | ACHE (1.00) | — | |
| P-Xylene SCHEMBL771 | 0.43 | — | — |
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-1272532-A1 | SALINE CHEMICAL COMPOSITION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS | Basell Polyolefine GmbH (DE) | 2003-01-08 | — | — | EP | disclosed |
| WO-2001068718-A1 | SALINE CHEMICAL COMPOSITION, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF IN CATALYST SYSTEMS FOR PRODUCING POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2001-09-20 | — | — | WO | disclosed |