⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21939142 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL6956795 | 0.73 | PDE5A (0.49) | — | |
| SCHEMBL732979 | 0.72 | PDE5A (0.33) | — | |
| SCHEMBL732699 | 0.71 | PDE5A (0.32) | — | |
| SCHEMBL732864 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL732914 | 0.71 | AKT2 (0.37) | — | |
| SCHEMBL4266797 | 0.67 | — | — | |
| SCHEMBL21939112 | 0.67 | MAPK1 (0.32) | — | |
| SCHEMBL11150571 | 0.66 | ADORA3 (0.46) | — | |
| SCHEMBL20746608 | 0.66 | KDM4E (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2120569-B1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME (US) | 2013-08-14 | — | — | EP | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2120569-A2 | SPIROCHROMANON DERIVATIVES | Merck & Co., Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| US-20090270436-A1 | SPIROCHROMANON DERIVATIVES | MERCK SHARP & DOHME LLC | 2009-10-29 | — | — | US | disclosed |
| WO-2008088692-A2 | SPIROCHROMANON DERIVATIVES | MERCK & CO., INC. (US) | 2008-07-24 | — | — | WO | disclosed |