⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3760701 | 1.00 | — | — | |
| SCHEMBL8835185 | 0.71 | — | — | |
| SCHEMBL7145560 | 0.67 | — | — | |
| SCHEMBL12993184 | 0.66 | — | — | |
| SCHEMBL6669413 | 0.65 | TP53 (0.42) | — | |
| Benzene SCHEMBL27686543 | 0.62 | TRPA1 (0.33) | — | |
| SCHEMBL28131660 | 0.60 | — | — | |
| SCHEMBL13858961 | 0.59 | — | — | |
| SCHEMBL17994199 | 0.56 | — | — | |
| SCHEMBL13464717 | 0.55 | — | — |
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 |