⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13180142 | 0.78 | LMNA (0.30) | — | |
| SCHEMBL27424106 | 0.72 | TDP1 (0.36) | — | |
| SCHEMBL12852279 | 0.70 | TDP1 (0.35) | — | |
| SCHEMBL3679780 | 0.66 | — | — | |
| SCHEMBL13550128 | 0.63 | — | — | |
| SCHEMBL2384025 | 0.63 | — | — | |
| SCHEMBL27421383 | 0.61 | TSHR (0.35) | — | |
| SCHEMBL21295507 | 0.60 | TSHR (0.32) | — | |
| SCHEMBL7334425 | 0.60 | OR51E2 (0.33) | — | |
| SCHEMBL15145320 | 0.58 | — | — |
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-20120301535-A1 | COMBINATION PEPTIDE-NANOPARTICLES AND DELIVERY SYSTEMS INCORPORATING SAME | AQUESTIVE THERAPEUTICS, INC. | 2012-11-29 | — | — | US | disclosed |
| US-20120009260-A1 | NANOPARTICLE FILM DELIVERY SYSTEMS | AQUESTIVE THERAPEUTICS, INC. | 2012-01-12 | — | — | US | disclosed |