⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10090896 | 0.70 | TLR7 (0.40) | — | |
| SCHEMBL10277635 | 0.68 | TLR7 (0.36) | — | |
| SCHEMBL160441 | 0.66 | TLR7 (0.35) | — | |
| SCHEMBL160224 | 0.64 | ALDH1A1 (0.44) | — | |
| SCHEMBL10277355 | 0.60 | CYP1A1 (0.39) | — | |
| SCHEMBL10277413 | 0.54 | ALDH1A1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL2418902 | 0.52 | PNP (0.34) | — | |
| SCHEMBL13634514 | 0.51 | L3MBTL1 (0.47) | — | |
| Hydrochloric Acid SCHEMBL2418163 | 0.50 | PNP (0.34) | — | |
| SCHEMBL22261696 | 0.48 | RARB (0.42) | — |
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-9315530-B2 | Adsorption of immunopotentiators to insoluble metal salts | NOVARTIS AG (CH) | 2016-04-19 | — | — | US | disclosed |
| US-20130274465-A1 | ADSORPTION OF IMMUNOPOTENTIATORS TO INSOLUBLE METAL SALTS | IRM LLC (BM) | 2013-10-17 | — | — | US | disclosed |
| US-20120177681-A1 | Formulation of immunopotentiators | GLAXOSMITHKLINE BIOLOGICALS SA (BE) | 2012-07-12 | — | — | US | disclosed |