⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5358427 | 0.95 | PARP1 (0.31) | — | |
| SCHEMBL5355660 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL5358040 | 0.87 | — | — | |
| SCHEMBL6513733 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL6065118 | 0.82 | CHRNB2 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6466757 | 0.81 | PARP1 (0.32) | — | |
| SCHEMBL6519709 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL5351713 | 0.80 | BRD4 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6465000 | 0.80 | KIF11 (0.31) | — | |
| Hydrochloric Acid SCHEMBL3692857 | 0.76 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6861384-B2 | Process for preparation of a salt-like chemical compound and its use in catalyst systems for preparing polyolefins | BASELL POLYOLEFINE GMBH (DE) | 2005-03-01 | — | — | US | disclosed |
| US-20040072975-A1 | Salt-like chemical compound, its preparation and its use in catalyst systems for preparing polyolefins | BASELL POLYPROPYLEN GMBH (DE) | 2004-04-15 | — | — | US | disclosed |
| US-20040048992-A1 | Process for preparation of salt-like chemical compound, and its use in catalyst systems for preparing polyolefins | EQUISTAR CHEMICALS, LP | 2004-03-11 | — | — | US | disclosed |
| US-20030144434-A1 | Chemical products suited for use as co-catalysts, method for the preparation thereof and their use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-07-31 | — | — | US | disclosed |
| US-20030109652-A1 | Catalyst system | BOHNEN HANS (DE) | 2003-06-12 | — | — | US | disclosed |
| US-20030069426-A1 | Saline chemical composition, method for producing the same and the use thereof in catalyst systems for producing polyolefins | SCHOTTEK JORG (DE) | 2003-04-10 | — | — | US | disclosed |
| US-20030013913-A1 | Chemical compound, method for the production thereof and its use in catalyst systems for producing polyolefins | EQUISTAR CHEMICALS, LP | 2003-01-16 | — | — | US | disclosed |
| US-20030008984-A1 | Novel catalyst system and the use thereof | BASELL POLYOLEFINE GMBH (DE) | 2003-01-09 | — | — | US | disclosed |