⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3945663 | 1.00 | — | — | |
| SCHEMBL30587752 | 1.00 | — | — | |
| SCHEMBL3946400 | 0.82 | — | — | |
| SCHEMBL9105745 | 0.81 | — | — | |
| SCHEMBL2454382 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL3747390 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL17913581 | 0.78 | MEN1 (0.30) | — | |
| SCHEMBL7939966 | 0.74 | POLB (0.36) | — | |
| SCHEMBL3954227 | 0.73 | — | — | |
| SCHEMBL4127198 | 0.72 | RNPEP (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090156509-A1 | Tri-peptide Inhibitors of Serine Elastases | ACCUTHERA, INC. (US) | 2009-06-18 | — | — | US | disclosed |