⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1070923 | 0.77 | — | — | |
| SCHEMBL7162538 | 0.75 | SIGMAR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1070924 | 0.74 | KDM4E (0.32) | — | |
| SCHEMBL3227148 | 0.72 | — | — | |
| SCHEMBL21436081 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL2538857 | 0.71 | HTR2A (0.35) | — | |
| SCHEMBL3381692 | 0.71 | BRD4 (0.36) | — | |
| SCHEMBL6466503 | 0.70 | — | — | |
| SCHEMBL6067234 | 0.70 | — | — | |
| SCHEMBL7647267 | 0.69 | SIGMAR1 (0.30) | — |
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-1740626-A1 | CATALYST SYSTEM FOR OLEFIN POLYMERIZATION, ITS PRODUCTION AND USE | Basell Polyolefine GmbH (DE) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005103099-A1 | CATALYST SYSTEM FOR OLEFIN POLYMERIZATION, ITS PRODUCTION AND USE | BASELL POLYOLEFINE GMBH (DE) | 2005-11-03 | — | — | WO | disclosed |