⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19277291 | 1.00 | — | — | |
| SCHEMBL910677 | 1.00 | — | — | |
| SCHEMBL19339448 | 0.92 | EPHX2 (0.32) | — | |
| SCHEMBL13821720 | 0.92 | EPHX2 (0.32) | — | |
| SCHEMBL6059416 | 0.89 | TSHR (0.43) | — | |
| SCHEMBL7354255 | 0.89 | TSHR (0.50) | — | |
| SCHEMBL13639014 | 0.87 | TSHR (0.48) | — | |
| SCHEMBL887222 | 0.83 | ADH1A (0.32) | — | |
| SCHEMBL887195 | 0.83 | ADH1A (0.32) | — | |
| SCHEMBL823159 | 0.83 | ADH1A (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180064819-A1 | Targeting Ligands | SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT | 2018-03-08 | — | — | US | disclosed |
| US-8765786-B2 | 1-substituted indazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2014-07-01 | — | — | US | disclosed |
| EP-1346982-B1 | VLA-4 INHIBITORS | DAIICHI SEIYAKU CO (JP) | 2011-09-14 | — | — | EP | disclosed |
| US-5356563-A | Two plate electrooptical cell | HOFFMANN-LA ROCHE INC. (US) | 1994-10-18 | — | — | US | disclosed |
| US-5244597-A | Liquid crystalline mixtures having a chiral tilted smectic phase | HOFFMANN-LA ROCHE INC. (US) | 1993-09-14 | — | — | US | disclosed |
| EP-0343487-B1 | CYCLOHEXYL ESTERS OF ALPHA-FLUORO/CARBOXYLIC ACIDS | F. HOFFMANN-LA ROCHE AG (CH) | 1993-01-20 | — | — | EP | disclosed |
| EP-0343487-A1 | Cyclohexyl esters of alpha-fluoro/carboxylic acids | F. HOFFMANN-LA ROCHE AG (CH) | 1989-11-29 | — | — | EP | disclosed |
| US-4528114-A | Acetylenes | HOFFMANN-LA ROCHE INC. (US) | 1985-07-09 | — | — | US | disclosed |