⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3700473 | 0.83 | — | — | |
| SCHEMBL4276865 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL2233539 | 0.82 | — | — | |
| SCHEMBL5914845 | 0.82 | BRD4 (0.32) | — | |
| SCHEMBL5186742 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL5143998 | 0.81 | BRD4 (0.31) | — | |
| SCHEMBL11967835 | 0.81 | — | — | |
| SCHEMBL5177617 | 0.79 | — | — | |
| SCHEMBL6434207 | 0.79 | NPC1 (0.32) | — | |
| SCHEMBL5275988 | 0.78 | — | — |
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-1572359-B1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2010-04-28 | — | — | EP | disclosed |
| EP-1392710-A1 | REDUCTION OF THE CONCENTRATION OF INORGANIC BY-PRODUCTS AND ORGANOMETALLIC BY-PRODUCTS IN THE PREPARATION OF METALLOCENES AND ECONOMICAL RECOVERY OF THE STARTING MATERIALS USED | Basell Polyolefine GmbH (DE) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002096920-A1 | REDUCTION OF THE CONCENTRATION OF INORGANIC BY-PRODUCTS AND ORGANOMETALLIC BY-PRODUCTS IN THE PREPARATION OF METALLOCENES AND ECONOMICAL RECOVERY OF THE STARTING MATERIALS USED | BASELL POLYOLEFINE GMBH (DE) | 2002-12-05 | — | — | WO | disclosed |