⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1340149 | 0.72 | — | — | |
| SCHEMBL19675089 | 0.69 | MPO (0.37) | — | |
| SCHEMBL18600475 | 0.67 | MPO (0.36) | — | |
| SCHEMBL17581113 | 0.65 | — | — | |
| SCHEMBL1053003 | 0.65 | — | — | |
| SCHEMBL743966 | 0.64 | — | — | |
| SCHEMBL31473485 | 0.64 | — | — | |
| SCHEMBL14724393 | 0.63 | — | — | |
| SCHEMBL27379568 | 0.63 | MPO (0.32) | — | |
| SCHEMBL6275922 | 0.63 | NOS3 (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008021242-A2 | FLUOROTAXOID-FATTY ACID CONJUGATES AND PHARMACEUTICAL COMPOSITIONS THEREOF | THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) | 2008-02-21 | — | — | WO | disclosed |