⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12298052 | 0.78 | — | — | |
| SCHEMBL1884589 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL19832507 | 0.65 | — | — | |
| SCHEMBL1400082 | 0.65 | — | — | |
| SCHEMBL12245280 | 0.64 | CCNE2 (0.33) | — | |
| SCHEMBL175478 | 0.63 | ALDH1A1 (0.33) | — | |
| SCHEMBL20907799 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL20322050 | 0.61 | IDO1 (0.36) | — | |
| SCHEMBL20285553 | 0.61 | PTGS1 (0.37) | — | |
| SCHEMBL12798682 | 0.61 | TLR7 (0.31) | — |
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-10653681-B2 | Analgesic compounds | RECURIUM IP HOLDINGS, LLC (US) | 2020-05-19 | — | — | US | disclosed |
| US-20190111031-A1 | ANALGESIC COMPOUNDS | KTHERA, LLC | 2019-04-18 | — | — | US | disclosed |