⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9119694 | 0.87 | — | — | |
| SCHEMBL584624 | 0.87 | — | — | |
| SCHEMBL1145900 | 0.87 | — | — | |
| SCHEMBL11473560 | 0.87 | — | — | |
| SCHEMBL12027382 | 0.78 | — | — | |
| SCHEMBL9122867 | 0.78 | — | — | |
| SCHEMBL9122356 | 0.78 | — | — | |
| SCHEMBL12880737 | 0.78 | — | — | |
| SCHEMBL1415542 | 0.76 | — | — | |
| SCHEMBL1415566 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090297454-A1 | Perfluoroalkyl-Containing Complexes, Process For Their Production As Well As Their Use | SCHIRMER HEIKO | 2009-12-03 | — | — | US | disclosed |
| US-7618957-B2 | 1-N-(Benzyloxycarbonyl)-1H,1H,2H,2H,4H,4H,5H,5H-3-aza-perfluorotridecylamine; used in NMR and x-ray diagnosis, radiodiagnosis, and radiotherapy, as well as in MRT lymphography and in blood-pool imaging | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-11-17 | — | — | US | disclosed |
| US-20070189969-A1 | Perfluoroalkyl-containing complexes, process for their production as well as their use | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-08-16 | — | — | US | disclosed |