⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11209327 | 0.81 | — | — | |
| SCHEMBL11212681 | 0.80 | — | — | |
| SCHEMBL11479636 | 0.77 | — | — | |
| SCHEMBL11213344 | 0.77 | — | — | |
| SCHEMBL7915791 | 0.76 | — | — | |
| SCHEMBL7508495 | 0.76 | — | — | |
| SCHEMBL931533 | 0.74 | — | — | |
| SCHEMBL3868432 | 0.72 | — | — | |
| SCHEMBL6048050 | 0.72 | — | — | |
| SCHEMBL9789777 | 0.71 | NFE2L2 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8440706-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-05-14 | — | — | US | disclosed |
| US-7964624-B1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-21 | — | — | US | disclosed |