⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6384771 | 0.89 | — | — | |
| SCHEMBL6383086 | 0.85 | PSMB5 (0.30) | — | |
| SCHEMBL6384406 | 0.83 | HDAC4 (0.35) | — | |
| SCHEMBL6383914 | 0.82 | — | — | |
| SCHEMBL6383221 | 0.81 | — | — | |
| SCHEMBL6384768 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL6385325 | 0.78 | — | — | |
| SCHEMBL6383106 | 0.78 | CNR1 (0.30) | — | |
| SCHEMBL6386670 | 0.77 | CA12 (0.32) | — | |
| SCHEMBL8676204 | 0.77 | GABRG2 (0.33) | — |
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-1567560-A1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS | Basell Polyolefine GmbH (DE) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004052945-A1 | ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2004-06-24 | — | — | WO | disclosed |