⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7141635 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL7417546 | 0.96 | — | — | |
| SCHEMBL15600925 | 0.79 | CA12 (0.69) | — | |
| SCHEMBL895685 | 0.77 | — | — | |
| SCHEMBL15704741 | 0.75 | — | — | |
| SCHEMBL2378833 | 0.74 | — | — | |
| SCHEMBL4272634 | 0.72 | ALDH1A1 (0.69) | — | |
| SCHEMBL8463850 | 0.72 | — | — | |
| SCHEMBL10425918 | 0.71 | CA12 (0.73) | — | |
| SCHEMBL15334 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8309055-B2 | PET radiotracers | HAMMERSMITH IMANET LIMITED (GB) | 2012-11-13 | — | — | US | disclosed |
| US-20120130122-A1 | PET RADIOTRACERS | HAMMERSMITH IMANET LIMITED (GB) | 2012-05-24 | — | — | US | disclosed |
| US-20080292552-A1 | Pet Radiotracers | ARSTAD ERIK | 2008-11-27 | — | — | US | disclosed |
| US-7456202-B2 | Marked maleimide compounds, method for preparing same and use thereof for marking macromolecules | COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) | 2008-11-25 | — | — | US | disclosed |