⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12949425 | 0.98 | PDE4A (0.31) | — | |
| SCHEMBL12949467 | 0.98 | PDE4A (0.31) | — | |
| SCHEMBL12949311 | 0.98 | PDE4A (0.31) | — | |
| SCHEMBL11451410 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL3372053 | 0.89 | LRRK2 (0.30) | — | |
| SCHEMBL16903633 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL18855667 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL11415152 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL3048298 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL15015369 | 0.84 | CA1 (0.32) | — |
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 3 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-8372873-B2 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-02-12 | — | — | US | disclosed |
| US-20070179167-A1 | Inhibitors of serine proteases | VERTEX PHARMACEUTICALS INCORPORATED | 2007-08-02 | — | — | US | disclosed |