⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3109061 | 0.78 | — | — | |
| SCHEMBL28160329 | 0.76 | — | — | |
| SCHEMBL3621127 | 0.75 | — | — | |
| SCHEMBL6007923 | 0.74 | — | — | |
| SCHEMBL3029183 | 0.73 | — | — | |
| SCHEMBL1858349 | 0.73 | — | — | |
| SCHEMBL771830 | 0.67 | TGFBR1 (0.37) | — | |
| SCHEMBL730294 | 0.67 | — | — | |
| SCHEMBL9032135 | 0.66 | — | — | |
| SCHEMBL274479 | 0.64 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2307422-B1 | NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS | MSD KK (JP) | 2014-03-26 | — | — | EP | disclosed |
| US-8524730-B2 | Spirochromanone carboxylic acids | MSD K.K. (JP) | 2013-09-03 | — | — | US | disclosed |
| US-8138197-B2 | Spirochromanon derivatives | MSD K.K. (JP) | 2012-03-20 | — | — | US | disclosed |
| EP-2307422-A1 | NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS | Banyu Pharmaceutical Co., Ltd. (JP) | 2011-04-13 | — | — | EP | disclosed |
| US-20110077262-A1 | NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS | MSD K.K. (JP) | 2011-03-31 | — | — | US | disclosed |
| WO-2010002010-A1 | NOVEL SPIROCHROMANONE CARBOXYLIC ACIDS | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-01-07 | — | — | WO | 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 |