⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25045 | 0.70 | — | — | |
| SCHEMBL23223 | 0.66 | — | — | |
| SCHEMBL4475143 | 0.65 | ESR1 (0.31) | — | |
| SCHEMBL4472129 | 0.65 | ESR1 (0.31) | — | |
| SCHEMBL4473625 | 0.65 | CSNK2A1 (0.31) | — | |
| SCHEMBL21295658 | 0.63 | ESR1 (0.34) | — | |
| SCHEMBL31464919 | 0.63 | HDAC4 (0.42) | — | |
| SCHEMBL4463440 | 0.62 | FYN (0.32) | — | |
| SCHEMBL7008560 | 0.62 | ERN1 (0.32) | — | |
| SCHEMBL6266667 | 0.61 | PRKDC (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2160187-B1 | SPIROINDALONES | MERCK SHARP & DOHME (US) | 2013-05-22 | — | — | EP | claimed |
| US-8309544-B2 | Spiroindalones | MERCK SHARP & DOHME CORP. (US) | 2012-11-13 | — | — | US | claimed |
| US-20100137297-A1 | SPIROINDALONES | MERCK SHARP & DOHME LLC | 2010-06-03 | — | — | US | claimed |
| EP-2160187-A1 | SPIROINDALONES | Merck Sharp & Dohme Corp. (US) | 2010-03-10 | — | — | EP | claimed |
| WO-2008144266-A1 | SPIROINDALONES | MERCK & CO., INC. (US) | 2008-11-27 | — | — | WO | claimed |
| EP-2160187-B1 | SPIROINDALONES | MERCK SHARP & DOHME (US) | 2013-05-22 | — | — | EP | disclosed |
| US-8309544-B2 | Spiroindalones | MERCK SHARP & DOHME CORP. (US) | 2012-11-13 | — | — | US | disclosed |
| US-20100137297-A1 | SPIROINDALONES | MERCK SHARP & DOHME LLC | 2010-06-03 | — | — | US | disclosed |
| EP-2160187-A1 | SPIROINDALONES | Merck Sharp & Dohme Corp. (US) | 2010-03-10 | — | — | EP | disclosed |
| WO-2008144266-A1 | SPIROINDALONES | MERCK & CO., INC. (US) | 2008-11-27 | — | — | WO | disclosed |