⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16668308 | 0.77 | — | — | |
| SCHEMBL18680878 | 0.71 | — | — | |
| SCHEMBL18679911 | 0.71 | — | — | |
| SCHEMBL18663010 | 0.71 | — | — | |
| SCHEMBL18663011 | 0.71 | — | — | |
| SCHEMBL1130533 | 0.68 | — | — | |
| SCHEMBL9966452 | 0.67 | — | — | |
| SCHEMBL1192413 | 0.66 | — | — | |
| SCHEMBL11602378 | 0.65 | HTT (0.35) | — | |
| SCHEMBL28346244 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110201563-A1 | CHIMERIC SMALL MOLECULES FOR THE RECRUITMENT OF ANTIBODIES TO CANCER CELLS | YALE UNIVERSITY (US) | 2011-08-18 | — | — | US | disclosed |