⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL367608 | 0.69 | — | — | |
| SCHEMBL170292 | 0.67 | — | — | |
| SCHEMBL4468331 | 0.65 | — | — | |
| SCHEMBL23200494 | 0.62 | — | — | |
| SCHEMBL14995092 | 0.62 | — | — | |
| SCHEMBL68490 | 0.61 | — | — | |
| SCHEMBL6293076 | 0.61 | — | — | |
| SCHEMBL1513648 | 0.61 | — | — | |
| SCHEMBL4533037 | 0.61 | — | — | |
| SCHEMBL250606 | 0.61 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2134668-B1 | PENTALENES | UNIV OXFORD INNOVATION LTD (GB) | 2018-05-09 | — | — | EP | disclosed |
| US-8716456-B2 | Pentalenes | ISIS INNOVATION LIMITED (GB) | 2014-05-06 | — | — | US | disclosed |
| US-20100105883-A1 | PENTALENES | ISIS INNOVATION LIMITED (GB) | 2010-04-29 | — | — | US | disclosed |
| EP-2134668-A2 | PENTALENES | ISIS Innovation Limited (GB) | 2009-12-23 | — | — | EP | disclosed |
| WO-2008110774-A2 | PENTALENES | ISIS INNOVATION LIMITED (GB) | 2008-09-18 | — | — | WO | disclosed |