⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13502510 | 1.00 | — | — | |
| SCHEMBL10110588 | 1.00 | — | — | |
| SCHEMBL14420274 | 1.00 | — | — | |
| SCHEMBL364043 | 1.00 | — | — | |
| SCHEMBL13983807 | 1.00 | — | — | |
| SCHEMBL14420270 | 1.00 | — | — | |
| SCHEMBL13947336 | 0.86 | SMN1; SMN2 (0.55) | — | |
| SCHEMBL12908952 | 0.86 | SMN1; SMN2 (0.55) | — | |
| Methacrylic Acid SCHEMBL19376986 | 0.82 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL14787119 | 0.75 | SMN1; SMN2 (0.43) | — |
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-20120165319-A1 | INHIBITORS OF INTERLEUKIN-1 BETA CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-06-28 | — | — | US | disclosed |