⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL732864 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL21275530 | 0.74 | BTK (0.43) | — | |
| Hydrochloric Acid SCHEMBL6479668 | 0.67 | HRH1 (0.49) | — | |
| SCHEMBL25186010 | 0.66 | PARP10 (0.35) | — | |
| SCHEMBL2888983 | 0.63 | ALDH1A1 (0.41) | — | |
| SCHEMBL932789 | 0.61 | HRH3 (0.44) | — | |
| SCHEMBL2067769 | 0.60 | CHRNB2 (0.36) | — | |
| SCHEMBL392763 | 0.60 | — | — | |
| SCHEMBL28928661 | 0.59 | SLC6A2 (0.37) | — | |
| SCHEMBL29487689 | 0.58 | NOTUM (0.49) | — |
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 |