⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL813809 | 0.85 | ADORA3 (0.35) | — | |
| SCHEMBL12460354 | 0.80 | RAB9A (0.36) | — | |
| SCHEMBL814162 | 0.79 | MAPT (0.38) | — | |
| SCHEMBL813989 | 0.77 | NPC1 (0.34) | — | |
| SCHEMBL813926 | 0.77 | ADORA3 (0.36) | — | |
| SCHEMBL814661 | 0.76 | MAPT (0.41) | — | |
| SCHEMBL814521 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL12394651 | 0.75 | ADORA3 (0.35) | — | |
| SCHEMBL5609010 | 0.75 | ADORA3 (0.36) | — | |
| SCHEMBL813984 | 0.75 | ADORA3 (0.36) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1603957-B1 | POLYMERISATION AND OLIGOMERISATION CATALYSTS | INEOS SALES UK LTD (GB) | 2015-10-28 | — | — | EP | disclosed |
| EP-1789459-B1 | POLYOLEFINS | INEOS SALES UK LTD (GB) | 2014-04-30 | — | — | EP | disclosed |
| US-8067328-B2 | Polymerisation and oligomerisation catalysts | INEOS EUROPE LIMITED (GB) | 2011-11-29 | — | — | US | disclosed |
| US-7989565-B2 | Polyolefins | INEOS EUROPE LIMITED (GB) | 2011-08-02 | — | — | US | disclosed |
| US-7989565-B2 | Polyolefins | INEOS EUROPE LIMITED (GB) | 2011-08-02 | — | — | US | disclosed |
| US-20090124487-A1 | Polyolefins | BARCLAYS BANK PLC (GB) | 2009-05-14 | — | — | US | disclosed |
| US-20090124487-A1 | Polyolefins | BARCLAYS BANK PLC (GB) | 2009-05-14 | — | — | US | disclosed |
| US-20070207918-A1 | Polymerisation and Oligomerisation Catalysts | INEOS SALES (UK) LIMITED (GB) | 2007-09-06 | — | — | US | disclosed |
| US-20070207918-A1 | Polymerisation and Oligomerisation Catalysts | INEOS SALES (UK) LIMITED (GB) | 2007-09-06 | — | — | US | disclosed |
| US-7229943-B2 | Polymerisation and oligomerisation catalysts | INNOVENE EUROPE LIMITED (GB) | 2007-06-12 | — | — | US | disclosed |
| US-7229943-B2 | Polymerisation and oligomerisation catalysts | INNOVENE EUROPE LIMITED (GB) | 2007-06-12 | — | — | US | disclosed |