⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14895468 | 0.88 | — | — | |
| SCHEMBL3264160 | 0.85 | — | — | |
| SCHEMBL3179340 | 0.83 | TRPV1 (0.37) | — | |
| SCHEMBL7056629 | 0.76 | LGALS9 (0.33) | — | |
| SCHEMBL9959979 | 0.75 | — | — | |
| SCHEMBL9863339 | 0.75 | — | — | |
| SCHEMBL14896299 | 0.75 | — | — | |
| SCHEMBL14896300 | 0.75 | — | — | |
| SCHEMBL15733282 | 0.75 | — | — | |
| SCHEMBL9712160 | 0.73 | — | — |
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-2013059927-A1 | COMPOUNDS TARGETING THE CELL INVASION PROTEIN COMPLEX, THEIR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF | THE ROYAL INSTITUTE FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2013-05-02 | — | — | WO | disclosed |